Molecule

ID:43263

General Information
Structure
MolImage
Molecular Formula
C₈H₆O₂S₂
Molecular Mass
198.26204
Exact Mass
197.98092143
Charge
0
InChI
InChI=1S/C8H6O2S2/c1-10-8(9)7-4-6-5(12-7)2-3-11-6/h2-4H,1H3
InChIKey
VCLNJFSCOKHCEJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1)scc2
Isomeric Smiles
c1(sc2c(c1)scc2)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.871735
LogD (pH = 7.4)
2.871735
Log P
2.871735
Molar Refractivity
48.0974
Polarizability
19.62857
Polar Surface Area
26.3
Rotatable Bonds
2
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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