Molecule

ID:14341

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-7-3-4-11-9(5-7)10(12(14)15)6-8(2)13-11/h3-6H,1-2H3,(H,14,15)
InChIKey
PPFCNYVQJDEENH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)C)C(=O)O
Isomeric Smiles
c12c(nc(cc1C(=O)O)C)ccc(c2)C
Calculated Properties
JChem
Acid pKa
3.7884316
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5211006
LogD (pH = 7.4)
-0.914716
Log P
2.067645
Molar Refractivity
56.8682
Polarizability
22.804754
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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