Molecule

ID:60683

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c1-8(2)7-13-10-6-4-3-5-9(10)11(14)12(13)15/h3-6,8H,7H2,1-2H3
InChIKey
NZLZSOVOTGYGAY-UHFFFAOYSA-N
Canonic Smiles
CC(CN1c2ccccc2C(=O)C1=O)C
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.059913
LogD (pH = 7.4)
2.059913
Log P
2.059913
Molar Refractivity
57.3351
Polarizability
21.89007
Polar Surface Area
37.38
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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