Molecule

ID:73210

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO₂
Molecular Mass
153.60728
Exact Mass
153.05565631
Charge
0
InChI
InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H
InChIKey
HOPSCVCBEOCPJZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C[N+](C)(C)C.[Cl-]
Isomeric Smiles
OC(=O)C[N+](C)(C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
2.2595637
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7238586
LogD (pH = 7.4)
-3.723654
Log P
-4.494184
Molar Refractivity
41.9863
Polarizability
11.954945
Polar Surface Area
37.3
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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