Molecule

ID:135016

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀OS
Molecular Mass
202.2722
Exact Mass
202.04523594
Charge
0
InChI
InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
JJHHIJFTHRNPIK-UHFFFAOYSA-N
Canonic Smiles
O=S(c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)S(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7878532
LogD (pH = 7.4)
2.7878532
Log P
2.7878532
Molar Refractivity
60.1138
Polarizability
23.764812
Polar Surface Area
17.07
Rotatable Bonds
2
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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