Molecule

ID:70375

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-6-3-2-4-7-8(10(12)13)5-11-9(6)7/h2-5,11H,1H3,(H,12,13)
InChIKey
SRYCADDCUWPWAE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c[nH]c2c1cccc2C
Isomeric Smiles
[nH]1cc(c2cccc(c12)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5381813
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.28807342
LogD (pH = 7.4)
-1.1206154
Log P
2.2430122
Molar Refractivity
49.4419
Polarizability
19.630005
Polar Surface Area
53.09
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
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Molecule Details
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References
Bioactivity
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