Molecule
ID:42786
General Information
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-6(12)8-4-3-5-9-10(8)13-7(2)11-9/h3-5H,1-2H3
InChIKey
QHKORIZTRRKXFC-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2c(o1)c(ccc2)C(=O)C
Isomeric Smiles
n1c(oc2c(C(=O)C)cccc12)C
Calculated Properties
JChem
Acid pKa
15.141122
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0005755
LogD (pH = 7.4)
1.0005776
Log P
1.0005777
Molar Refractivity
47.5666
Polarizability
19.327915
Polar Surface Area
43.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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