Molecule

ID:80218

General Information
Structure
MolImage
Molecular Formula
C₃H₆ClNO₂
Molecular Mass
123.53824
Exact Mass
123.00870612
Charge
0
InChI
InChI=1S/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7)
InChIKey
TXNSZCSYBXHETP-UHFFFAOYSA-N
Canonic Smiles
OCNC(=O)CCl
Isomeric Smiles
N(C(=O)CCl)CO
Calculated Properties
JChem
Acid pKa
9.311925
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.8493289
LogD (pH = 7.4)
-0.8539504
Log P
-0.8492695
Molar Refractivity
25.2176
Polarizability
10.109442
Polar Surface Area
49.33
Rotatable Bonds
2
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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