Molecule

ID:72258

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO₂
Molecular Mass
153.60728
Exact Mass
153.05565631
Charge
0
InChI
InChI=1S/C5H11NO2.ClH/c1-4(6-2)5(7)8-3;/h4,6H,1-3H3;1H
InChIKey
CYMQHMBRKIJBGI-UHFFFAOYSA-N
Canonic Smiles
CNC(C(=O)OC)C.Cl
Isomeric Smiles
C(=O)(C(NC)C)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0848235
LogD (pH = 7.4)
-0.057623435
Log P
-2.36865E-4
Molar Refractivity
30.041
Polarizability
12.24825
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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