Molecule

ID:8514

General Information
Structure
MolImage
Molecular Formula
C₈H₆S₂
Molecular Mass
166.26324
Exact Mass
165.99109219
Charge
0
InChI
InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
InChIKey
OHZAHWOAMVVGEL-UHFFFAOYSA-N
Canonic Smiles
c1csc(c1)c1cccs1
Isomeric Smiles
c1cc(sc1)c1sccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.17
LogD (pH = 5.5)
3.17
Log P
3.17
Rotatable Bonds
1
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
17.22
Molar Refractivity
44.97
LOG S
-3.14
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
References
Bioactivity
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