Molecule

ID:109142

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₅S
Molecular Mass
207.20436
Exact Mass
207.02014339
Charge
0
InChI
InChI=1S/C6H7NO.H2O4S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4,8H,7H2;(H2,1,2,3,4)
InChIKey
BNOCVKCSBKRYHN-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.Nc1ccccc1O
Isomeric Smiles
OS(=O)(=O)O.Nc1ccccc1O
Calculated Properties
JChem
Acid pKa
10.349432
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7979417
LogD (pH = 7.4)
0.83962935
Log P
0.84075457
Molar Refractivity
32.7393
Polarizability
12.071578
Polar Surface Area
46.25
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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