Molecule

ID:9743

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NaO₃S
Molecular Mass
202.24697
Exact Mass
202.06395962
Charge
0
InChI
InChI=1S/C7H16O3S.Na/c1-2-3-4-5-6-7-11(8,9)10;/h2-7H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKey
REFMEZARFCPESH-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCS(=O)(=O)[O-].[Na+]
Isomeric Smiles
C(CCCCS(=O)(=O)[O-])CC.[Na+]
Calculated Properties
JChem
Acid pKa
-0.5145956
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.52687865
LogD (pH = 7.4)
-0.5269769
Log P
1.8494207
Molar Refractivity
43.2102
Polarizability
18.168251
Polar Surface Area
57.2
Rotatable Bonds
6
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