Molecule

ID:6418

General Information
Structure
Molecular Formula
C₅H₁₂ClNO₂
Molecular Mass
153.60728
Exact Mass
153.05565631
Charge
0
InChI
InChI=1S/C5H11NO2.ClH/c1-2-8-5(7)3-4-6;/h2-4,6H2,1H3;1H
InChIKey
RJCGNNHKSNIUAT-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)OCC.Cl
Isomeric Smiles
C(C(=O)OCC)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3710017
LogD (pH = 7.4)
-2.273793
Log P
-0.4077608
Molar Refractivity
30.2205
Polarizability
12.24825
Polar Surface Area
52.32
Rotatable Bonds
4
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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