Molecule

ID:7885

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
InChIKey
QXAUTQFAWKKNLM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c[nH]c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)[nH]cc2C(=O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
2.08
LogD (pH = 5.5)
2.08
Log P
2.08
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
12.20
Polar Surface Area
42.09
Polarizability
18.20
Molar Refractivity
49.17
LOG S
-2.54
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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