Molecule

ID:57467

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)
InChIKey
ILGMGHZPXRDCCS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1C(=O)Nc2c1cccc2
Isomeric Smiles
c1cc2c(cc1)C(C(=O)N2)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.40
LogD (pH = 5.5)
-0.74
Log P
0.74
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.03
Polar Surface Area
66.40
Polarizability
18.62
Molar Refractivity
50.43
LOG S
-1.04
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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