Molecule

ID:58220

General Information
Structure
MolImage
Molecular Formula
C₃H₆ClNO
Molecular Mass
107.53884
Exact Mass
107.0137915
Charge
0
InChI
InChI=1S/C3H6ClNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)
InChIKey
OEZPDHRXGCLGKB-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N)Cl
Isomeric Smiles
C(=O)(C(Cl)C)N
Calculated Properties
JChem
Acid pKa
13.204213
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.07581973
LogD (pH = 7.4)
0.075820334
Log P
0.07581972
Molar Refractivity
23.713
Polarizability
9.395033
Polar Surface Area
43.09
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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