Molecule

ID:79938

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀INO₂
Molecular Mass
325.18647
Exact Mass
325.05387689
Charge
0
InChI
InChI=1S/C11H20NO2.HI/c1-3-14-11(13)10-8-9-4-6-12(10,2)7-5-9;/h9-10H,3-8H2,1-2H3;1H/q+1;/p-1
InChIKey
CBKQWIBXFHHUHD-UHFFFAOYSA-M
Canonic Smiles
CCOC(=O)C1CC2CC[N+]1(C)CC2.[I-]
Isomeric Smiles
[N+]12(C(C(=O)OCC)CC(CC1)CC2)C.[I-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-3.1156733
LogD (pH = 7.4)
-3.1156733
Log P
-3.1156733
Molar Refractivity
66.2083
Polarizability
21.765774
Polar Surface Area
26.3
Rotatable Bonds
3
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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