Molecule

ID:83139

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO₃
Molecular Mass
267.70816
Exact Mass
267.06622099
Charge
0
InChI
InChI=1S/C13H14ClNO3/c14-11-3-1-9(2-4-11)5-6-15-8-10(13(17)18)7-12(15)16/h1-4,10H,5-8H2,(H,17,18)
InChIKey
IMVZABZPKCETQX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)CCc1ccc(cc1)Cl
Isomeric Smiles
N1(CC(CC1=O)C(=O)O)CCc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
4.142245
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.26640666
LogD (pH = 7.4)
-1.4320127
Log P
1.6398977
Molar Refractivity
67.4129
Polarizability
26.13758
Polar Surface Area
57.61
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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