Molecule

ID:37661

General Information
Structure
MolImage
Molecular Formula
C₃H₆ClNO
Molecular Mass
107.53884
Exact Mass
107.0137915
Charge
0
InChI
InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
InChIKey
HOZLOOPIXHWKCI-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCl
Isomeric Smiles
C(=O)(NC)CCl
Calculated Properties
JChem
Acid pKa
12.821867
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.26926848
LogD (pH = 7.4)
-0.2692699
Log P
-0.26926845
Molar Refractivity
24.1158
Polarizability
9.394158
Polar Surface Area
29.1
Rotatable Bonds
1
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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