Molecule

ID:64735

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-7-2-3-8-6-9(11(13)14)4-5-10(8)12-7/h2-6H,1H3,(H,13,14)
InChIKey
IZONZQFTYGVOOO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)ccc(c2)C(=O)O
Isomeric Smiles
n1c2c(cc(C(=O)O)cc2)ccc1C
Calculated Properties
JChem
Acid pKa
2.9779606
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.009329642
LogD (pH = 7.4)
-1.3480937
Log P
0.37690866
Molar Refractivity
51.827
Polarizability
21.033302
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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