Molecule

ID:74734

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₄S
Molecular Mass
167.18356
Exact Mass
167.02522877
Charge
0
InChI
InChI=1S/C4H9NO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)(H2,5,8,9)
InChIKey
OMPGKWICGUBROA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCS(=O)(=O)N
Isomeric Smiles
OC(=O)CCCS(=O)(=O)N
Calculated Properties
JChem
Acid pKa
3.616609
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.2587361
LogD (pH = 7.4)
-4.7165923
Log P
-1.379403
Molar Refractivity
33.7297
Polarizability
14.1665325
Polar Surface Area
97.46
Rotatable Bonds
4
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