Molecule

ID:60226

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO₂
Molecular Mass
251.70876
Exact Mass
251.07130637
Charge
0
InChI
InChI=1S/C13H14ClNO2/c14-13(17)11-8-12(16)15(9-11)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
IQEQMBNXMBVLTQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CN(C(=O)C1)CCc1ccccc1
Isomeric Smiles
N1(CC(CC1=O)C(=O)Cl)CCc1ccccc1
Calculated Properties
JChem
Acid pKa
17.640133
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5691826
LogD (pH = 7.4)
1.5691828
Log P
1.5691828
Molar Refractivity
66.4666
Polarizability
25.64766
Polar Surface Area
37.38
Rotatable Bonds
4
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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