Molecule

ID:2166

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
InChIKey
LOAUVZALPPNFOQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(n1)cccc2
Isomeric Smiles
n1c(ccc2ccccc12)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.07
LogD (pH = 5.5)
0.34
Log P
0.79
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.10
Polar Surface Area
50.19
Polarizability
17.27
Molar Refractivity
46.86
LOG S
-2.34
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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