Standard InChI: InChI=1S/C19H16N2O3/c1-22-17-9-13(10-18(23-2)19(17)24-3)8-15(12-21)16-7-5-4-6-14(16)11-20/h4-10H,1-3H3/b15-8+
Standard InChI Key: SOOWRNYVBIGEJO-OVCLIPMQSA-N
Associated Targets(non-human)
Botrytis fabae 182 Activities
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Fusarium oxysporum 3998 Activities
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Pseudomonas aeruginosa 123386 Activities
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Escherichia coli 133304 Activities
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Bacillus subtilis 32866 Activities
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Bacillus thuringiensis 718 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 320.35
Molecular Weight (Monoisotopic): 320.1161
AlogP: 3.65
#Rotatable Bonds: 5
Polar Surface Area: 75.27
Molecular Species: NEUTRAL
HBA: 5
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 5
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 3.41
CX LogD: 3.41
Aromatic Rings: 2
Heavy Atoms: 24
QED Weighted: 0.62
Np Likeness Score: -0.72
References
1.Fadda AA, Afsah el-SM, Awad RS.. (2013) Synthesis and antimicrobial activity of some new benzo and naphthonitrile derivatives., 60 [PMID:23318903][10.1016/j.ejmech.2012.11.017]
