Molecule

ID:103088

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀INO₂
Molecular Mass
301.16507
Exact Mass
301.05387689
Charge
0
InChI
InChI=1S/C9H20NO2.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKey
GALNBQVDMJRFGJ-UHFFFAOYSA-M
Canonic Smiles
CCCC(=O)OCC[N+](C)(C)C.[I-]
Isomeric Smiles
[I-].CCCC(=O)OCC[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-3.0760393
LogD (pH = 7.4)
-3.0760393
Log P
-3.0760393
Molar Refractivity
60.5734
Polarizability
19.536444
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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