Molecule
ID:15235
General Information
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-7-8-4-2-3-5-9(8)11-10(7)6-12/h2-6,11H,1H3
InChIKey
GHSUORIVDBPKKQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1[nH]c2c(c1C)cccc2
Isomeric Smiles
c12c(c(c([nH]1)C=O)C)cccc2
Calculated Properties
JChem
Acid pKa
13.913332
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2179327
LogD (pH = 7.4)
2.2179325
Log P
2.2179327
Molar Refractivity
48.6472
Polarizability
19.240553
Polar Surface Area
32.86
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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