Standard InChI: InChI=1S/C14H15N7O5S/c1-8-12(21-9(16-8)5-4-6-15-21)27(23,24)20-14(22)19-13-17-10(25-2)7-11(18-13)26-3/h4-7H,1-3H3,(H2,17,18,19,20,22)
Standard InChI Key: POMQPCCZUMVELW-UHFFFAOYSA-N
Associated Targets(non-human)
Schoenoplectiella juncoides 1014 Activities
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Sagittaria pygmaea 155 Activities
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Cyperus difformis 556 Activities
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Echinochloa oryzicola 1513 Activities
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Rotala indica 446 Activities
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Lindernia procumbens 387 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: 393.39
Molecular Weight (Monoisotopic): 393.0855
AlogP: 0.36
#Rotatable Bonds: 5
Polar Surface Area: 149.70
Molecular Species: ACID
HBA: 10
HBD: 2
#RO5 Violations: 0
HBA (Lipinski): 12
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 1
CX Acidic pKa: 5.04
CX Basic pKa: 2.68
CX LogP: 1.00
CX LogD: 0.08
Aromatic Rings: 3
Heavy Atoms: 27
QED Weighted: 0.63
Np Likeness Score: -1.73
References
1.OHTA K, ITOH S, KANDOU Y, YOSHIKAWA H, ISHIDA Y. (1994) Synthesis and Herbicidal Activity of Sulfonylureas with Fused Heterocyclic Moiety, 19 (2):[10.1584/jpestics.19.2_137]
