Molecule

ID:62115

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O
Molecular Mass
238.7133
Exact Mass
238.08729079
Charge
0
InChI
InChI=1S/C12H15ClN2O/c1-9(16)15-5-4-11(8-15)6-10-2-3-12(13)14-7-10/h2-3,7,11H,4-6,8H2,1H3
InChIKey
YNSZOJHWJQAAPV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCC(C1)Cc1ccc(nc1)Cl
Isomeric Smiles
N1(C(=O)C)CC(Cc2cnc(Cl)cc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3727438
LogD (pH = 7.4)
1.372756
Log P
1.3727561
Molar Refractivity
64.6771
Polarizability
24.739628
Polar Surface Area
33.2
Rotatable Bonds
2
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
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References
Bioactivity
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