Molecule

ID:111110

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄NNaO₃S
Molecular Mass
203.23503
Exact Mass
203.05920859
Charge
0
InChI
InChI=1S/C6H12.H3NO3S.Na/c1-2-4-6-5-3-1;1-5(2,3)4;/h1-6H2;(H3,1,2,3,4);/q;;+1/p-1
InChIKey
LGTMDZQTOADAIQ-UHFFFAOYSA-M
Canonic Smiles
C1CCCCC1.[O-]S(=O)(=O)N.[Na+]
Isomeric Smiles
C1CCCCC1.NS(=O)(=O)[O-].[Na+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.667412
LogD (pH = 7.4)
2.667412
Log P
2.667412
Molar Refractivity
27.605999
Polarizability
11.082252
Polar Surface Area
0.0
Rotatable Bonds
0
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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