Standard InChI: InChI=1S/C14H9NO3/c1-18-11-4-2-3-9-12(11)14(17)10-7-15-6-5-8(10)13(9)16/h2-7H,1H3
Standard InChI Key: YGNXLFRYNTXWCD-UHFFFAOYSA-N
Associated Targets(non-human)
Staphylococcus aureus 210822 Activities
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Aspergillus niger 16508 Activities
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Rhizopus microsporus var. chinensis 21 Activities
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Mucor mucedo 338 Activities
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Bacillus subtilis 32866 Activities
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Escherichia coli 133304 Activities
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Proteus vulgaris 5823 Activities
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Pseudomonas aeruginosa 123386 Activities
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Saccharomyces cerevisiae 19171 Activities
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Schizosaccharomyces pombe 495 Activities
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Cyberlindnera jadinii 900 Activities
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Rhodotorula mucilaginosa 339 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: 239.23
Molecular Weight (Monoisotopic): 239.0582
AlogP: 1.87
#Rotatable Bonds: 1
Polar Surface Area: 56.26
Molecular Species: NEUTRAL
HBA: 4
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 4
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 1.99
CX LogP: 1.54
CX LogD: 1.54
Aromatic Rings: 2
Heavy Atoms: 18
QED Weighted: 0.65
Np Likeness Score: 0.42
References
1.Koyama J, Morita I, Kobayashi N, Osakai T, Usuki Y, Taniguchi M.. (2005) Structure-activity relations of azafluorenone and azaanthraquinone as antimicrobial compounds., 15 (4):[PMID:15686916][10.1016/j.bmcl.2004.12.059]
