Standard InChI: InChI=1S/C24H12Cl2O4/c25-15-5-1-3-13(7-15)21-10-19(27)17-9-18-20(28)11-22(14-4-2-6-16(26)8-14)30-24(18)12-23(17)29-21/h1-12H
Standard InChI Key: WTBOQTPQGYKSEM-UHFFFAOYSA-N
Associated Targets(non-human)
Rhizopus arrhizus 810 Activities
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Aspergillus niger 16508 Activities
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Candida albicans 78123 Activities
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Pseudomonas aeruginosa 123386 Activities
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Escherichia coli 133304 Activities
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Staphylococcus aureus 210822 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: 435.26
Molecular Weight (Monoisotopic): 434.0113
AlogP: 6.54
#Rotatable Bonds: 2
Polar Surface Area: 60.42
Molecular Species: NEUTRAL
HBA: 4
HBD: 0
#RO5 Violations: 1
HBA (Lipinski): 4
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 1
CX Acidic pKa:
CX Basic pKa:
CX LogP: 5.17
CX LogD: 5.17
Aromatic Rings: 5
Heavy Atoms: 30
QED Weighted: 0.30
Np Likeness Score: -0.08
References
1.Husain A, Ahmad A, Mkhalid IAI, Mishra R, Rashid M. (2013) Synthesis and antimicrobial activity of bischalcone derivatives, 22 (4):[10.1007/s00044-012-0137-4]
