Molecule

ID:80526

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6,12H,7H2
InChIKey
HREHOXSRYOZKNT-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc2c(n1)cccc2
Isomeric Smiles
n1c(ccc2c1cccc2)CO
Calculated Properties
JChem
Acid pKa
14.247555
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4285256
LogD (pH = 7.4)
1.4448107
Log P
1.4450226
Molar Refractivity
46.273
Polarizability
19.453104
Polar Surface Area
33.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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