Molecule

ID:104755

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄IN
Molecular Mass
263.11863
Exact Mass
263.01709745
Charge
0
InChI
InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKey
KKLAORVGAKUOPZ-UHFFFAOYSA-M
Canonic Smiles
C[N+](c1ccccc1)(C)C.[I-]
Isomeric Smiles
[I-].C[N+](C)(C)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.96705
LogD (pH = 7.4)
-1.96705
Log P
-1.96705
Molar Refractivity
55.6793
Polarizability
17.334887
Polar Surface Area
0.0
Rotatable Bonds
1
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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