Molecule

ID:109985

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀S₂
Molecular Mass
242.3592
Exact Mass
242.02239232
Charge
0
InChI
InChI=1S/C14H10S2/c1-7-8(2)13(15)14(16)12-10-6-4-3-5-9(10)11(7)12/h3-6H,1-2H3
InChIKey
LQIWCFQYSQQZEP-UHFFFAOYSA-N
Canonic Smiles
Cc1c(=S)c(=S)c2=c(c1C)c1c2cccc1
Isomeric Smiles
Cc1c(C)c2=c(c(=S)c1=S)c1c2cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4935503
LogD (pH = 7.4)
4.4935503
Log P
4.4935503
Molar Refractivity
78.571
Polarizability
30.293474
Polar Surface Area
0.0
Rotatable Bonds
0
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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