Molecule

ID:48540

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O
Molecular Mass
238.7133
Exact Mass
238.08729079
Charge
0
InChI
InChI=1S/C12H15ClN2O/c1-9-4-7-15(8-5-9)12(16)10-3-2-6-14-11(10)13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKey
KOHQTMKPQJEEMF-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)C(=O)c1cccnc1Cl
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0151715
LogD (pH = 7.4)
2.015173
Log P
2.015173
Molar Refractivity
65.3296
Polarizability
24.548132
Polar Surface Area
33.2
Rotatable Bonds
1
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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