Molecule

ID:24616

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c8-4-1-7-2-5-9-6-3-7;/h4H,1-3,5-6H2;1H
InChIKey
JZIBIVRGYHAHQJ-UHFFFAOYSA-N
Canonic Smiles
O=CCN1CCOCC1.Cl
Isomeric Smiles
N1(CC=O)CCOCC1.Cl
Calculated Properties
JChem
Acid pKa
15.3781395
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.9819419
LogD (pH = 7.4)
-0.7137225
Log P
-0.70896393
Molar Refractivity
34.2218
Polarizability
13.364334
Polar Surface Area
29.54
Rotatable Bonds
2
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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