Molecule

ID:61419

General Information
Structure
MolImage
Molecular Formula
C₈H₆S
Molecular Mass
134.19824
Exact Mass
134.01902119
Charge
0
InChI
InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKey
FCEHBMOGCRZNNI-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)scc2
Isomeric Smiles
c12c(ccs1)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
2.85
LogD (pH = 5.5)
2.85
Log P
2.85
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
14.23
Molar Refractivity
39.40
LOG S
-2.82
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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