Molecule

ID:112438

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
InChIKey
DLKDEVCJRCPTLN-UHFFFAOYSA-N
Canonic Smiles
CCCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
CCCCN1C(=O)c2ccccc2C1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.240998
LogD (pH = 7.4)
2.240998
Log P
2.240998
Molar Refractivity
58.0851
Polarizability
21.496805
Polar Surface Area
37.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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