Molecule

ID:85166

General Information
Structure
Molecular Formula
C₈H₁₈INOS
Molecular Mass
303.20409
Exact Mass
303.0153832
Charge
0
InChI
InChI=1S/C8H18NOS.HI/c1-8(10)11-7-5-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKey
UUFRUYBEQBNNDK-UHFFFAOYSA-M
Canonic Smiles
CC(=O)SCCC[N+](C)(C)C.[I-]
Isomeric Smiles
[N+](CCCSC(=O)C)(C)(C)C.[I-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-3.5103326
LogD (pH = 7.4)
-3.5103326
Log P
-3.5103326
Molar Refractivity
62.5558
Polarizability
20.101929
Polar Surface Area
17.07
Rotatable Bonds
5
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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