Molecule

ID:135015

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀S
Molecular Mass
186.2728
Exact Mass
186.05032132
Charge
0
InChI
InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKey
LTYMSROWYAPPGB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)Sc1ccccc1
Isomeric Smiles
c1ccc(cc1)Sc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1619954
LogD (pH = 7.4)
4.1619954
Log P
4.1619954
Molar Refractivity
58.7421
Polarizability
23.088911
Polar Surface Area
0.0
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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