Molecule

ID:105516

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄NNaO₄S
Molecular Mass
231.24513
Exact Mass
231.05412321
Charge
0
InChI
InChI=1S/C7H15NO4S.Na/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;/h1-7H2,(H,9,10,11);/q;+1/p-1
InChIKey
MWEMXEWFLIDTSJ-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)CCCN1CCOCC1.[Na+]
Isomeric Smiles
[Na+].[O-]S(=O)(=O)CCCN1CCOCC1
Calculated Properties
JChem
Acid pKa
-0.9625623
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-2.441244
LogD (pH = 7.4)
-2.9075754
Log P
-2.4259691
Molar Refractivity
47.4926
Polarizability
19.733578
Polar Surface Area
69.67
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