Molecule

ID:79862

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H3
InChIKey
RTNPPPQVXREFKX-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(=O)n(c2c1cccc2)C
Isomeric Smiles
n1(c(=O)cc(c2ccccc12)O)C
Calculated Properties
JChem
Acid pKa
7.348192
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7015535
LogD (pH = 7.4)
0.38067928
Log P
0.7076615
Molar Refractivity
50.2874
Polarizability
18.602612
Polar Surface Area
40.54
Rotatable Bonds
0
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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