Molecule

ID:69428

General Information
Structure
Molecular Formula
C₉H₆OS
Molecular Mass
162.20834
Exact Mass
162.01393581
Charge
0
InChI
InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
InChIKey
NXSVNPSWARVMAY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(s1)cccc2
Isomeric Smiles
c12c(cc(s1)C=O)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6942124
LogD (pH = 7.4)
2.6942124
Log P
2.6942124
Molar Refractivity
45.7662
Polarizability
18.416162
Polar Surface Area
17.07
Rotatable Bonds
1
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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