Molecule

ID:89534

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈S₃
Molecular Mass
248.38692
Exact Mass
247.97881326
Charge
0
InChI
InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H
InChIKey
KXSFECAJUBPPFE-UHFFFAOYSA-N
Canonic Smiles
c1csc(c1)c1ccc(s1)c1cccs1
Isomeric Smiles
s1cccc1c1ccc(s1)c1cccs1
Calculated Properties
JChem
LogD (pH = 7.4)
4.60
LogD (pH = 5.5)
4.60
Log P
4.60
Rotatable Bonds
2
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
26.50
Molar Refractivity
66.78
LOG S
-5.11
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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