Molecule

ID:72237

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO₂
Molecular Mass
153.60728
Exact Mass
153.05565631
Charge
0
InChI
InChI=1S/C5H11NO2.ClH/c1-3-4(6-2)5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H
InChIKey
UXBBODLDNLSOTM-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)NC.Cl
Isomeric Smiles
C(=O)(C(NC)CC)O.Cl
Calculated Properties
JChem
Acid pKa
2.267686
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0951428
LogD (pH = 7.4)
-2.0952039
Log P
-2.095006
Molar Refractivity
29.7959
Polarizability
12.004493
Polar Surface Area
49.33
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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