Standard InChI: InChI=1S/C12H7ClN2S/c13-8-4-5-11-10(7-8)15-12(16-11)9-3-1-2-6-14-9/h1-7H
Standard InChI Key: LFYOJOYYGRINLY-UHFFFAOYSA-N
Associated Targets(non-human)
Oryza sativa 2923 Activities
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Cyperus compressus 19 Activities
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Echinochloa crus-galli 3685 Activities
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Chenopodium album 769 Activities
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Amaranthus viridis 153 Activities
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Persicaria hydropiper 38 Activities
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Eleusine indica 140 Activities
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Fusarium fujikuroi 210 Activities
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Xanthomonas axonopodis 50 Activities
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Pseudoperonospora cubensis 1623 Activities
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Pyricularia oryzae 1832 Activities
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Botrytis cinerea 4183 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: 246.72
Molecular Weight (Monoisotopic): 246.0018
AlogP: 4.01
#Rotatable Bonds: 1
Polar Surface Area: 25.78
Molecular Species: NEUTRAL
HBA: 3
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 2
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 0.38
CX LogP: 3.91
CX LogD: 3.91
Aromatic Rings: 3
Heavy Atoms: 16
QED Weighted: 0.65
Np Likeness Score: -2.55
References
1.HISANO T, ICHIKAWA M, TSUMOTO K, TASAKI M. (1992) Synthesis of benzoxazoles, benzothiazoles and benzimidazoles and evaluation of their antifungal, insecticidal and herbicidal activities., 30 (8):[10.1248/cpb.30.2996]
