Molecule

ID:52872

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5(7)4-2-3-4;/h4-5H,2-3,7H2,1H3;1H
InChIKey
SRMSADQSMWKRRW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C1CC1)N.Cl
Isomeric Smiles
C1(C(N)C(=O)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9403945
LogD (pH = 7.4)
-0.3417312
Log P
-0.00904794
Molar Refractivity
32.4598
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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