Molecule

ID:92389

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₄S
Molecular Mass
191.20496
Exact Mass
191.02522877
Charge
0
InChI
InChI=1S/C6H7N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,7H2;(H2,1,2,3,4)
InChIKey
NTOLGSSKLPLTDW-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.Nc1ccccc1
Isomeric Smiles
Nc1ccccc1.S(=O)(=O)(O)O
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0882844
LogD (pH = 7.4)
1.143567
Log P
1.1443199
Molar Refractivity
30.7584
Polarizability
11.497764
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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