Molecule

ID:81895

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
S(c1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.16
LogD (pH = 5.5)
4.16
Log P
4.16
Rotatable Bonds
2
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
20.66
Molar Refractivity
58.74
LOG S
-4.17
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation