Molecule

ID:10756

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H,12,13)
InChIKey
QRDZFPUVLYEQTA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1nccc2
Isomeric Smiles
c1cc(c2c(c1)cccn2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7626371
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.015744654
LogD (pH = 7.4)
-1.5188011
Log P
1.5261059
Molar Refractivity
47.2355
Polarizability
19.273804
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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