Molecule

ID:63502

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c14-10-4-5-11(15)13-7-6-8-2-1-3-9(10)12(8)13/h1-3H,4-7H2
InChIKey
HUZRDLIPCFTNIF-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(=O)N2c3c1cccc3CC2
Isomeric Smiles
C1N2C(=O)CCC(=O)c3cccc(C1)c23
Calculated Properties
JChem
Acid pKa
13.417854
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7207667
LogD (pH = 7.4)
0.7207663
Log P
0.7207667
Molar Refractivity
55.9989
Polarizability
21.169092
Polar Surface Area
37.38
Rotatable Bonds
0
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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