Molecule

ID:136661

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-4,6-8H,5,9-10H2
InChIKey
ZNLOEFQSAKKFGT-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC=C1)OCc1ccccc1
Isomeric Smiles
c1ccc(cc1)COC(=O)N1CCC=C1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1786046
LogD (pH = 7.4)
2.1786046
Log P
2.1786046
Molar Refractivity
58.1296
Polarizability
22.300976
Polar Surface Area
29.54
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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