Molecule

ID:126633

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₂
Molecular Mass
255.74052
Exact Mass
255.1026065
Charge
0
InChI
InChI=1S/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKey
TZWKUQDQKPYNLL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(Cc1ccc(cc1)Cl)(C)C
Isomeric Smiles
Clc1ccc(cc1)CC(NC(=O)OCC)(C)C
Calculated Properties
JChem
Acid pKa
13.983577
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4838176
LogD (pH = 7.4)
3.4838173
Log P
3.4838176
Molar Refractivity
68.9642
Polarizability
26.988165
Polar Surface Area
38.33
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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