Molecule

ID:16019

General Information
Structure
MolImage
Molecular Formula
C₈H₄S₃
Molecular Mass
196.31236
Exact Mass
195.94751313
Charge
0
InChI
InChI=1S/C8H4S3/c1-3-10-8-5(1)7-6(11-8)2-4-9-7/h1-4H
InChIKey
HKNRNTYTYUWGLN-UHFFFAOYSA-N
Canonic Smiles
c1cc2c(s1)c1c(s2)scc1
Isomeric Smiles
c12c(c3c(s1)ccs3)ccs2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9671469
LogD (pH = 7.4)
3.9671469
Log P
3.9671469
Molar Refractivity
48.5526
Polarizability
20.67804
Polar Surface Area
0.0
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
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References
Bioactivity
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