Molecule

ID:69743

General Information
Structure
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKey
HQEIPVHJHZTMDP-JEDNCBNOSA-N
Canonic Smiles
COC(=O)[C@@H]1CCCN1.Cl
Isomeric Smiles
C(=O)([C@H]1NCCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8883538
LogD (pH = 7.4)
-0.27990368
Log P
0.048752647
Molar Refractivity
32.8334
Polarizability
13.364334
Polar Surface Area
38.33
Rotatable Bonds
2
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
References
Bioactivity
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