Molecule

ID:63573

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c1-2-9-6(8)5-3-7-4-5;/h5,7H,2-4H2,1H3;1H
InChIKey
RZQFZRLGHCCPGG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CNC1.Cl
Isomeric Smiles
N1CC(C1)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2450318
LogD (pH = 7.4)
-1.7937791
Log P
-0.19438823
Molar Refractivity
33.083
Polarizability
13.364334
Polar Surface Area
38.33
Rotatable Bonds
3
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
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References
Bioactivity
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