Molecule

ID:14306

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-7-6-10(11(13)14)12-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,13,14)
InChIKey
QBDSKOATHWHNOZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(C)c2c(n1)cccc2
Isomeric Smiles
c12c(c(cc(n1)C(=O)O)C)cccc2
Calculated Properties
JChem
Acid pKa
1.1020132
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7468866
LogD (pH = 7.4)
-0.48987916
Log P
0.9439652
Molar Refractivity
51.9047
Polarizability
21.042006
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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