Molecule

ID:16022

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈S₃
Molecular Mass
260.39762
Exact Mass
259.97881326
Charge
0
InChI
InChI=1S/C13H8S3/c14-13-15-8-12(16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKey
HNIXPUBYMFMJTB-UHFFFAOYSA-N
Canonic Smiles
S=c1scc(s1)c1ccc2c(c1)cccc2
Isomeric Smiles
c1(sc(=S)sc1)c1cc2c(cc1)cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7157164
LogD (pH = 7.4)
4.7157164
Log P
4.7157164
Molar Refractivity
79.5492
Polarizability
32.25694
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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