Molecule

ID:68108

General Information
Structure
MolImage
Molecular Formula
C₈H₆OS
Molecular Mass
150.19764
Exact Mass
150.01393581
Charge
0
InChI
InChI=1S/C8H6OS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
InChIKey
ADHAJDDBRUOZHJ-UHFFFAOYSA-N
Canonic Smiles
O=C1CSc2c1cccc2
Isomeric Smiles
C1C(=O)c2c(S1)cccc2
Calculated Properties
JChem
Acid pKa
6.9736824
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5347737
LogD (pH = 7.4)
0.9861606
Log P
1.5491056
Molar Refractivity
42.8082
Polarizability
16.380098
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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