Molecule

ID:105686

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀S₃
Molecular Mass
178.3386
Exact Mass
177.99446332
Charge
0
InChI
InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey
UBAXRAHSPKWNCX-UHFFFAOYSA-N
Canonic Smiles
C=CCSSSCC=C
Isomeric Smiles
C=CCSSSCC=C
Calculated Properties
JChem
LogD (pH = 7.4)
3.36
LogD (pH = 5.5)
3.36
Log P
3.36
Rotatable Bonds
6
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
18.68
Molar Refractivity
51.17
LOG S
-3.81
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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