Molecule

ID:84005

General Information
Structure
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Molecular Formula
C₅H₁₂ClNO₂
Molecular Mass
153.60728
Exact Mass
153.05565631
Charge
0
InChI
InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChIKey
JCXLZWMDXJFOOI-WCCKRBBISA-N
Canonic Smiles
CCOC(=O)[C@@H](N)C.Cl
Isomeric Smiles
O=C([C@@H](N)C)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8947291
LogD (pH = 7.4)
-0.34745887
Log P
-0.0760093
Molar Refractivity
30.015
Polarizability
12.24825
Polar Surface Area
52.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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