Molecule

ID:9792

General Information
Structure
MolImage
Molecular Formula
C₆H₆OS
Molecular Mass
126.17624
Exact Mass
126.01393581
Charge
0
InChI
InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKey
VMKYTRPNOVFCGZ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1S
Isomeric Smiles
c1ccc(c(c1)S)O
Calculated Properties
JChem
Acid pKa
6.0077515
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.6504322
LogD (pH = 7.4)
0.6377235
Log P
1.7628877
Molar Refractivity
36.0487
Polarizability
13.977394
Polar Surface Area
20.23
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
References
Bioactivity
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