Molecule

ID:60222

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClNO₂
Molecular Mass
237.68218
Exact Mass
237.05565631
Charge
0
InChI
InChI=1S/C12H12ClNO2/c13-12(16)10-6-11(15)14(8-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
XMTRVDUUKLHFMW-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CN(C(=O)C1)Cc1ccccc1
Isomeric Smiles
N1(CC(CC1=O)C(=O)Cl)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
17.630108
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2805215
LogD (pH = 7.4)
1.2805215
Log P
1.2805215
Molar Refractivity
61.7116
Polarizability
23.812052
Polar Surface Area
37.38
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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