Molecule

ID:70487

General Information
Structure
Molecular Formula
C₈H₆S₂
Molecular Mass
166.26324
Exact Mass
165.99109219
Charge
0
InChI
InChI=1S/C8H6S2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H
InChIKey
IAAQEGBHNXAHBF-UHFFFAOYSA-N
Canonic Smiles
c1scc(c1)c1cscc1
Isomeric Smiles
c1c(ccs1)c1cscc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.181355
LogD (pH = 7.4)
3.181355
Log P
3.181355
Molar Refractivity
45.4058
Polarizability
18.582489
Polar Surface Area
0.0
Rotatable Bonds
1
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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