Molecule

ID:4200

General Information
Structure
Molecular Formula
C₁₀H₈O₆S₂
Molecular Mass
288.29692
Exact Mass
287.97622998
Charge
0
InChI
InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey
FITZJYAVATZPMJ-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O
Isomeric Smiles
O=S(=O)(O)c1ccc2cc(ccc2c1)S(=O)(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.43
LogD (pH = 5.5)
-3.43
Log P
1.32
Rotatable Bonds
2
H Donor
2
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
-2.77
Polar Surface Area
108.74
Polarizability
25.84
Molar Refractivity
63.75
LOG S
-2.68
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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