Molecule

ID:70582

General Information
Structure
MolImage
Molecular Formula
C₃H₈ClNO₂S
Molecular Mass
157.61912
Exact Mass
156.99642718
Charge
0
InChI
InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H
InChIKey
IFQSXNOEEPCSLW-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)CS.Cl
Isomeric Smiles
C(=O)(C(CS)N)O.Cl
Calculated Properties
JChem
Acid pKa
2.3459952
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.7920592
LogD (pH = 7.4)
-2.8006835
Log P
-2.7921333
Molar Refractivity
28.2236
Polarizability
11.415023
Polar Surface Area
63.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation