Molecule

ID:19038

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14;/h3-4,6-7H,5,8H2,1-2H3,(H,13,14);1H
InChIKey
WYNBFJDEOYTIGZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)CCC(=O)O)C.Cl
Isomeric Smiles
C(=O)(CCc1ccc(N(C)C)cc1)O.Cl
Calculated Properties
JChem
Acid pKa
4.6005006
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3549173
LogD (pH = 7.4)
-0.31170404
Log P
1.539378
Molar Refractivity
56.3952
Polarizability
21.182674
Polar Surface Area
40.54
Rotatable Bonds
4
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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