Molecule

ID:60058

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,(H,13,14)
InChIKey
NLSIIPKSANRIGS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)n1cccc1
Isomeric Smiles
n1(c2ccc(C(=O)O)cc2)cccc1
Calculated Properties
JChem
Acid pKa
4.7027597
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7316403
LogD (pH = 7.4)
-0.04614223
Log P
2.5923474
Molar Refractivity
63.0666
Polarizability
20.631721
Polar Surface Area
42.23
Rotatable Bonds
2
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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