Molecule

ID:83516

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈IN
Molecular Mass
267.15039
Exact Mass
267.04839758
Charge
0
InChI
InChI=1S/C9H18N.HI/c1-8-5-6-10(3,4)7-9(8)2;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKey
GIKPWRYPZZAGFO-UHFFFAOYSA-M
Canonic Smiles
CC1=C(C)C[N+](CC1)(C)C.[I-]
Isomeric Smiles
[N+]1(CC(=C(CC1)C)C)(C)C.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.8410926
LogD (pH = 7.4)
-2.8410926
Log P
-2.8410926
Molar Refractivity
57.5703
Polarizability
17.831026
Polar Surface Area
0.0
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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