Standard InChI: InChI=1S/C14H12N2OS/c1-2-17-10-6-7-13-12(9-10)16-14(18-13)11-5-3-4-8-15-11/h3-9H,2H2,1H3
Standard InChI Key: VLVXPHCYCOTZBP-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: 256.33
Molecular Weight (Monoisotopic): 256.0670
AlogP: 3.76
#Rotatable Bonds: 3
Polar Surface Area: 35.01
Molecular Species: NEUTRAL
HBA: 4
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 3
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 0.44
CX LogP: 3.51
CX LogD: 3.51
Aromatic Rings: 3
Heavy Atoms: 18
QED Weighted: 0.72
Np Likeness Score: -2.26
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]
