Molecule

ID:69668

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c12-10(13)6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6H2,(H,12,13)
InChIKey
QOPBEBWGSGFROG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1cc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c(cc2ccccc12)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.647245
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7208732
LogD (pH = 7.4)
-1.056612
Log P
1.6297572
Molar Refractivity
48.3296
Polarizability
19.722519
Polar Surface Area
53.09
Rotatable Bonds
2
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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