Molecule

ID:35109

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₄S
Molecular Mass
215.22636
Exact Mass
215.02522877
Charge
0
InChI
InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKey
VSOOBQALJVLTBH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1c(C(=O)OC)cccc1)N
Calculated Properties
JChem
LogD (pH = 7.4)
0.58
LogD (pH = 5.5)
0.58
Log P
0.58
Rotatable Bonds
3
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.28
Polar Surface Area
86.46
Polarizability
19.85
Molar Refractivity
50.24
LOG S
-1.66
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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