Molecule

ID:27089

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O₂
Molecular Mass
254.7127
Exact Mass
254.08220541
Charge
0
InChI
InChI=1S/C12H15ClN2O2/c1-2-7-14-12(17)9-3-5-10(6-4-9)15-11(16)8-13/h3-6H,2,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKey
JGMDVRLMEAJEGL-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)c1ccc(cc1)NC(=O)CCl
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CCl)cc1)NCCC
Calculated Properties
JChem
Acid pKa
12.9619055
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7019463
LogD (pH = 7.4)
1.7019455
Log P
1.7019467
Molar Refractivity
68.9219
Polarizability
25.426455
Polar Surface Area
58.2
Rotatable Bonds
5
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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