Molecule

ID:112518

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClNO₃
Molecular Mass
153.56422
Exact Mass
153.0192708
Charge
0
InChI
InChI=1S/C4H7NO3.ClH/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H2,5,6);1H
InChIKey
YJSIYYFSBCZIMG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)N.Cl
Isomeric Smiles
Cl.CCOC(=O)C(=O)N
Calculated Properties
JChem
Acid pKa
12.406755
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3346588
LogD (pH = 7.4)
-0.33465502
Log P
-0.33465883
Molar Refractivity
25.7785
Polarizability
10.216584
Polar Surface Area
69.39
Rotatable Bonds
3
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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