Molecule

ID:123984

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClNO₂
Molecular Mass
237.68218
Exact Mass
237.05565631
Charge
0
InChI
InChI=1S/C12H12ClNO2/c1-7(2)6-14-10-4-3-8(13)5-9(10)11(15)12(14)16/h3-5,7H,6H2,1-2H3
InChIKey
IFFKSJMZCKKYDH-UHFFFAOYSA-N
Canonic Smiles
CC(CN1C(=O)C(=O)c2c1ccc(c2)Cl)C
Isomeric Smiles
N1(C(=O)C(=O)c2c1ccc(c2)Cl)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6639576
LogD (pH = 7.4)
2.6639576
Log P
2.6639576
Molar Refractivity
62.1399
Polarizability
23.784912
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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