Standard InChI: InChI=1S/C24H16Cl2O4/c25-17-7-1-15(2-8-17)5-11-21(27)19-13-20(24(30)14-23(19)29)22(28)12-6-16-3-9-18(26)10-4-16/h1-14,29-30H/b11-5+,12-6+
Standard InChI Key: BLDGKMNEEVXTHU-YDWXAUTNSA-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: 439.29
Molecular Weight (Monoisotopic): 438.0426
AlogP: 6.20
#Rotatable Bonds: 6
Polar Surface Area: 74.60
Molecular Species: ACID
HBA: 4
HBD: 2
#RO5 Violations: 1
HBA (Lipinski): 4
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 1
CX Acidic pKa: 5.36
CX Basic pKa:
CX LogP: 7.71
CX LogD: 5.10
Aromatic Rings: 3
Heavy Atoms: 30
QED Weighted: 0.35
Np Likeness Score: 0.11
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]
