Molecule

ID:22549

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄O₅S₂
Molecular Mass
386.44146
Exact Mass
386.02826555
Charge
0
InChI
InChI=1S/C19H14O5S2/c20-14-17-18(25(21,22)15-8-3-1-4-9-15)12-7-13-19(17)26(23,24)16-10-5-2-6-11-16/h1-14H
InChIKey
BVVYQZRRPDRAPC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(cccc1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Isomeric Smiles
C(=O)c1c(cccc1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.5954175
LogD (pH = 7.4)
3.5954175
Log P
3.5954175
Molar Refractivity
99.7064
Polarizability
40.34479
Polar Surface Area
85.35
Rotatable Bonds
5
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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