ALA374548Name:
Piperidine-1-carbothioic acid (1-pyrazin-2-yl-ethylidene)-hydrazideMol. Formula:
C12H17N5SM.W.:
263.37Type:
Small moleculeAlogP:
1.56Polar Surface Area:
53.41HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA221062Name:
Pyrrolidine-1-carbothioic acid (1-pyrazin-2-yl-ethylidene)-hydrazideMol. Formula:
C11H15N5SM.W.:
249.34Type:
Small moleculeAlogP:
1.17Polar Surface Area:
53.41HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA221061Name:
4-(1-pyrazin-2-yl ethylene) N',N''-dimethyl thiosemicarbazoneMol. Formula:
C9H13N5SM.W.:
223.31Type:
Small moleculeAlogP:
0.64Polar Surface Area:
53.41HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA223250Name:
4-(1-pyridin-2-yl ethylene) N',N''-dimethyl thiosemicarbazoneMol. Formula:
C10H14N4SM.W.:
222.32Type:
Small moleculeAlogP:
1.24Polar Surface Area:
40.52HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.46DETAILS
ALA110469Name:
4-(6-methyl-pyridazin-3-yl ethylene) thiosemicarbazone hydrateMol. Formula:
C8H11N5SM.W.:
209.28Type:
Small moleculeAlogP:
0.75Polar Surface Area:
76.52HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.33DETAILS- ALA110468
Name:
4-(6-methyl-pyridazin-3-yl ethylene) N'-methyl thiosemicarbazoneMol. Formula:
C9H13N5SM.W.:
223.31Type:
Small moleculeAlogP:
1.01Polar Surface Area:
62.53HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA330925
Name:
4-(6-methyl-pyridazin-3-yl ethylene) N'-allyl thiosemicarbazone hydrateMol. Formula:
C11H15N5SM.W.:
249.34Type:
Small moleculeAlogP:
1.57Polar Surface Area:
62.53HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA113466
Name:
4-(6-methyl-pyridazin-3-yl ethylene) N'-pyridin-2-yl thiosemicarbazoneMol. Formula:
C14H16N6SM.W.:
300.39Type:
Small moleculeAlogP:
1.98Polar Surface Area:
75.42HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA323234
Name:
Piperidine-1-carbothioic acid (1-pyrimidin-4-yl-ethylidene)-hydrazideMol. Formula:
C12H17N5SM.W.:
263.37Type:
Small moleculeAlogP:
1.97Polar Surface Area:
53.74HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA112791
Name:
Azepane-1-carbothioic acid (1-pyrimidin-4-yl-ethylidene)-hydrazideMol. Formula:
C13H19N5SM.W.:
277.40Type:
Small moleculeAlogP:
2.36Polar Surface Area:
53.74HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA113364
Name:
Pyrrolidine-1-carbothioic acid N'-(1-pyridazin-3-yl-ethyl)-hydrazideMol. Formula:
C11H17N5SM.W.:
251.36Type:
Small moleculeAlogP:
1.42Polar Surface Area:
53.41HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA113024
Name:
4-pyridazin-3-yl methylene N'-methyl thiosemicarbazone hydrateMol. Formula:
C7H9N5SM.W.:
195.25Type:
Small moleculeAlogP:
0.32Polar Surface Area:
62.53HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA113281
Name:
4-pyridazin-3-yl methylene N'-allyl thiosemicarbazoneMol. Formula:
C9H11N5SM.W.:
221.29Type:
Small moleculeAlogP:
0.46Polar Surface Area:
62.20HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA113086
Name:
4-(1-pyrazin-2-yl ethylene) N'-methyl thiosemicarbazoneMol. Formula:
C8H11N5SM.W.:
209.28Type:
Small moleculeAlogP:
0.71Polar Surface Area:
62.53HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA333142
Name:
4-(1-pyrazin-2-yl ethylene)N'-allyl thiosemicarbazoneMol. Formula:
C10H13N5SM.W.:
235.32Type:
Small moleculeAlogP:
1.26Polar Surface Area:
62.53HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA112946
Name:
4-pyridazin-3-yl methylene N',N''-dimethyl thiosemicarbazoneMol. Formula:
C8H11N5SM.W.:
209.28Type:
Small moleculeAlogP:
0.66Polar Surface Area:
53.74HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA113057
Name:
4-(1-pyridazin-3-yl ethylene) N'-methyl thiosemicarbazoneMol. Formula:
C8H11N5SM.W.:
209.28Type:
Small moleculeAlogP:
0.71Polar Surface Area:
62.53HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA113224
Name:
4-(1-pyridazin-3-yl ethylene) N'-pyridin-2-yl methyl thiosemicarbazoneMol. Formula:
C13H14N6SM.W.:
286.36Type:
Small moleculeAlogP:
1.67Polar Surface Area:
75.42HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA325833
Name:
4-(1-pyrazin-2-yl ethylene) N'-pyridin-2-yl thiosemicarbazoneMol. Formula:
C13H14N6SM.W.:
286.36Type:
Small moleculeAlogP:
1.67Polar Surface Area:
75.42HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
1.05Polar Surface Area:
53.74HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.35DETAILS
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