Molecule

ID:13801

General Information
Structure
MolImage
Molecular Formula
C₆H₆OS
Molecular Mass
126.17624
Exact Mass
126.01393581
Charge
0
InChI
InChI=1S/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKey
DOFIAZGYBIBEGI-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)S
Isomeric Smiles
c1cc(cc(c1)S)O
Calculated Properties
JChem
Acid pKa
6.047347
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.6590571
LogD (pH = 7.4)
0.65661275
Log P
1.7628877
Molar Refractivity
36.0487
Polarizability
13.972588
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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