Molecule

ID:60710

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-6,11H,1H3
InChIKey
QXJMCSBBTMVSJS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc2c([nH]1)cccc2
Isomeric Smiles
c1([nH]c2c(c1)cccc2)C(=O)C
Calculated Properties
JChem
Acid pKa
12.619124
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5496564
LogD (pH = 7.4)
1.5496541
Log P
1.5496565
Molar Refractivity
47.4248
Polarizability
19.321516
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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