Molecule

ID:43442

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c1-9-5(8)6(4-7)2-3-6;/h2-4,7H2,1H3;1H
InChIKey
BQNOIBDCWPBGAS-UHFFFAOYSA-N
Canonic Smiles
NCC1(CC1)C(=O)OC.Cl
Isomeric Smiles
NCC1(C(=O)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0979965
LogD (pH = 7.4)
-2.0303407
Log P
-0.12929408
Molar Refractivity
32.7452
Polarizability
13.364334
Polar Surface Area
52.32
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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