Molecule

ID:130620

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈S₃
Molecular Mass
248.38692
Exact Mass
247.97881326
Charge
0
InChI
InChI=1S/C12H8S3/c1-2-12(10-4-6-14-8-10)15-11(1)9-3-5-13-7-9/h1-8H
InChIKey
OQKJYJOKTGKIRJ-UHFFFAOYSA-N
Canonic Smiles
c1scc(c1)c1ccc(s1)c1cscc1
Isomeric Smiles
c1cc(sc1c1ccsc1)c1ccsc1
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
26.61
Molar Refractivity
67.22
LOG S
-5.16
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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