Molecule

ID:71028

General Information
Structure
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c1-9-5(8)6(7)3-2-4-6;/h2-4,7H2,1H3;1H
InChIKey
LLCSDOKIBIMJNU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(N)CCC1.Cl
Isomeric Smiles
C1(CCC1)(C(=O)OC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8043457
LogD (pH = 7.4)
-0.20171265
Log P
0.13669886
Molar Refractivity
32.6245
Polarizability
13.364334
Polar Surface Area
52.32
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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