Molecule

ID:110845

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈OS
Molecular Mass
200.25632
Exact Mass
200.02958588
Charge
0
InChI
InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
InChIKey
GJSGGHOYGKMUPT-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)Sc1c(O2)cccc1
Isomeric Smiles
O1c2ccccc2Sc2ccccc12
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6890366
LogD (pH = 7.4)
3.6890366
Log P
3.6890366
Molar Refractivity
58.9249
Polarizability
22.991236
Polar Surface Area
9.23
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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