Molecule
ID:57208
General Information
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-6,12H,7H2
InChIKey
FLGKQMOTLCGOQH-UHFFFAOYSA-N
Canonic Smiles
OCc1cnc2c(c1)cccc2
Isomeric Smiles
c1ccc2c(c1)cc(cn2)CO
Calculated Properties
JChem
Acid pKa
14.706145
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3480942
LogD (pH = 7.4)
1.3633523
Log P
1.3635507
Molar Refractivity
46.7952
Polarizability
19.45201
Polar Surface Area
33.12
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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