Molecule

ID:60637

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKey
VUIMBZIZZFSQEE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1c[nH]c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(c[nH]2)C(=O)C
Calculated Properties
JChem
Acid pKa
13.403147
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6296554
LogD (pH = 7.4)
1.6296549
Log P
1.6296554
Molar Refractivity
47.5473
Polarizability
19.321241
Polar Surface Area
32.86
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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