Molecule

ID:75947

General Information
Structure
MolImage
Molecular Formula
C₉H₆OS
Molecular Mass
162.20834
Exact Mass
162.01393581
Charge
0
InChI
InChI=1S/C9H6OS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-6H
InChIKey
WSSVAOKEXMFMIO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1scc2
Isomeric Smiles
s1c2c(cccc2C=O)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.561773
LogD (pH = 7.4)
2.561773
Log P
2.561773
Molar Refractivity
45.9821
Polarizability
18.403475
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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