Molecule

ID:81833

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀INS
Molecular Mass
255.11977
Exact Mass
254.95786833
Charge
0
InChI
InChI=1S/C6H10NS.HI/c1-5-4-8-6(2)7(5)3;/h4H,1-3H3;1H/q+1;/p-1
InChIKey
WIJKXQIVWMOUHL-UHFFFAOYSA-M
Canonic Smiles
Cc1scc([n+]1C)C.[I-]
Isomeric Smiles
[n+]1(c(scc1C)C)C.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.6116076
LogD (pH = 7.4)
-3.6116076
Log P
-3.6116076
Molar Refractivity
46.257
Polarizability
13.634784
Polar Surface Area
3.88
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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