Molecule

ID:102707

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀INOS
Molecular Mass
317.23067
Exact Mass
317.03103327
Charge
0
InChI
InChI=1S/C9H20NOS.HI/c1-6-9(11)12-8(2)7-10(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKey
FWPAABYLOCCOBS-UHFFFAOYSA-M
Canonic Smiles
CCC(=O)SC(C[N+](C)(C)C)C.[I-]
Isomeric Smiles
[I-].CCC(=O)SC(C)C[N+](C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-2.634913
Log P
-2.634913
Molar Refractivity
66.8623
Polarizability
21.946627
Polar Surface Area
17.07
Rotatable Bonds
5
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.634913
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation