Molecule

ID:67829

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,(H,12,13)
InChIKey
WXXVQWSDMOAHHV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)nccc2
Isomeric Smiles
n1cccc2ccc(cc12)C(=O)O
Calculated Properties
JChem
Acid pKa
3.996553
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.251289
LogD (pH = 7.4)
-1.3864863
Log P
1.6492318
Molar Refractivity
47.2355
Polarizability
19.270441
Polar Surface Area
50.19
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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