Molecule

ID:11396

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8H,(H,13,14)
InChIKey
PODFNQCZFHLJPH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)n1cccc1
Isomeric Smiles
n1(c2cc(C(=O)O)ccc2)cccc1
Calculated Properties
JChem
Acid pKa
3.9722638
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0562189
LogD (pH = 7.4)
-0.58241475
Log P
2.5923474
Molar Refractivity
63.0666
Polarizability
20.631481
Polar Surface Area
42.23
Rotatable Bonds
2
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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