Molecule

ID:12977

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₂
Molecular Mass
241.71394
Exact Mass
241.08695644
Charge
0
InChI
InChI=1S/C12H15NO2.ClH/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11;/h3-6,11,13H,2,7-8H2,1H3;1H
InChIKey
GKLWWGAFDIKVQY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1NCc2c(C1)cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)CC(NC2)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.447337
LogD (pH = 7.4)
1.7582891
Log P
1.7641248
Molar Refractivity
57.9632
Polarizability
22.932514
Polar Surface Area
38.33
Rotatable Bonds
3
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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