Molecule

ID:15874

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNO₂
Molecular Mass
151.5914
Exact Mass
151.04000625
Charge
0
InChI
InChI=1S/C5H9NO2.ClH/c7-5(8)4-1-2-6-3-4;/h4,6H,1-3H2,(H,7,8);1H
InChIKey
OYCLYMMIZJWYJG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CNCC1.Cl
Isomeric Smiles
C1C(CNC1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.6427896
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.884873
LogD (pH = 7.4)
-2.8800323
Log P
-2.8800871
Molar Refractivity
28.3203
Polarizability
11.294152
Polar Surface Area
49.33
Rotatable Bonds
1
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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