Molecule

ID:107843

General Information
Structure
MolImage
Molecular Formula
C₃H₇ClN₂O
Molecular Mass
122.55348
Exact Mass
122.02469053
Charge
0
InChI
InChI=1S/C3H6N2O.ClH/c6-3-1-2-4-5-3;/h4H,1-2H2,(H,5,6);1H
InChIKey
HAYWTXQRYXYRAF-UHFFFAOYSA-N
Canonic Smiles
C1C[NH2+]NC1=O.[Cl-]
Isomeric Smiles
[Cl-].O=C1CC[NH2+]N1
Calculated Properties
JChem
Acid pKa
11.381545
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.1677389
LogD (pH = 7.4)
-1.1648314
Log P
-1.1647462
Molar Refractivity
32.2178
Polarizability
8.257234
Polar Surface Area
45.71
Rotatable Bonds
0
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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