Molecule

ID:112773

General Information
Structure
MolImage
Molecular Formula
C₂H₆ClNO₂
Molecular Mass
111.52754
Exact Mass
111.00870612
Charge
0
InChI
InChI=1S/C2H5NO2.ClH/c3-1-2(4)5;/h1,3H2,(H,4,5);1H
InChIKey
IVLXQGJVBGMLRR-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)O.Cl
Isomeric Smiles
Cl.NCC(=O)O
Calculated Properties
JChem
Acid pKa
2.307457
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4094565
LogD (pH = 7.4)
-3.4150424
Log P
-3.4094596
Molar Refractivity
16.0034
Polarizability
6.549665
Polar Surface Area
63.32
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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