Molecule

ID:55735

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO₂
Molecular Mass
153.60728
Exact Mass
153.05565631
Charge
0
InChI
InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
InChIKey
WPGPRLVPWACBHW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCN.Cl
Isomeric Smiles
C(=O)(OC)CCCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.499563
LogD (pH = 7.4)
-3.0702062
Log P
-0.47590756
Molar Refractivity
30.2269
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
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References
Bioactivity
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