Standard InChI: InChI=1S/C16H9ClN2/c17-15-7-5-12(6-8-15)9-14(11-19)16-4-2-1-3-13(16)10-18/h1-9H/b14-9+
Standard InChI Key: HAPLHABWOLKWQC-NTEUORMPSA-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: 264.71
Molecular Weight (Monoisotopic): 264.0454
AlogP: 4.28
#Rotatable Bonds: 2
Polar Surface Area: 47.58
Molecular Species:
HBA: 2
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 2
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 4.49
CX LogD: 4.49
Aromatic Rings: 2
Heavy Atoms: 19
QED Weighted: 0.60
Np Likeness Score: -1.44
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]
