Standard InChI: InChI=1S/C17H12N2O/c1-20-16-8-6-13(7-9-16)10-15(12-19)17-5-3-2-4-14(17)11-18/h2-10H,1H3/b15-10+
Standard InChI Key: KUODEIOHKGZPKZ-XNTDXEJSSA-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: 260.30
Molecular Weight (Monoisotopic): 260.0950
AlogP: 3.63
#Rotatable Bonds: 3
Polar Surface Area: 56.81
Molecular Species: NEUTRAL
HBA: 3
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 3
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 3.73
CX LogD: 3.73
Aromatic Rings: 2
Heavy Atoms: 20
QED Weighted: 0.63
Np Likeness Score: -1.11
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]
