Molecule
ID:87243
General Information
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c12-7-9-3-1-2-8-4-5-11-6-10(8)9/h1-6,12H,7H2
InChIKey
UDNDYRZGZAWJHB-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc2c1cncc2
Isomeric Smiles
n1cc2c(cccc2cc1)CO
Calculated Properties
JChem
Acid pKa
15.099857
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.89562386
LogD (pH = 7.4)
0.9765369
Log P
0.97770035
Molar Refractivity
47.1672
Polarizability
19.446514
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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