Molecule

ID:101520

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀OS
Molecular Mass
202.2722
Exact Mass
202.04523594
Charge
0
InChI
InChI=1S/C12H10OS/c13-9-11-5-3-10(4-6-11)8-12-2-1-7-14-12/h1-7,9H,8H2
InChIKey
COVDNSXFIDXCDX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Cc1cccs1
Isomeric Smiles
s1c(ccc1)Cc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6904235
LogD (pH = 7.4)
3.6904235
Log P
3.6904235
Molar Refractivity
59.4231
Polarizability
22.224226
Polar Surface Area
17.07
Rotatable Bonds
3
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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