Molecule

ID:122444

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₂
Molecular Mass
239.69806
Exact Mass
239.07130637
Charge
0
InChI
InChI=1S/C12H14ClNO2/c1-8(2)12(16)14-10-5-3-9(4-6-10)11(15)7-13/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKey
SRCHFZSYXCYZOM-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc(cc1)NC(=O)C(C)C
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)CCl)cc1)C(C)C
Calculated Properties
JChem
Acid pKa
13.478578
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5494697
LogD (pH = 7.4)
2.5494692
Log P
2.5494697
Molar Refractivity
65.2784
Polarizability
24.463192
Polar Surface Area
46.17
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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