Molecule

ID:118066

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-8-3-2-4-9(5-8)10-6-11(12(14)15)13-7-10/h2-7,13H,1H3,(H,14,15)
InChIKey
LKKXISVRLIUFPT-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1c[nH]c(c1)C(=O)O
Isomeric Smiles
c1(cc(c[nH]1)c1cc(ccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6057863
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.9015851
LogD (pH = 7.4)
-0.5496507
Log P
2.7913606
Molar Refractivity
58.1279
Polarizability
23.086496
Polar Surface Area
53.09
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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