Molecule

ID:81876

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈INO
Molecular Mass
271.13909
Exact Mass
271.0433122
Charge
0
InChI
InChI=1S/C8H18NO.HI/c1-7-6-9(2,3)5-4-8(7)10;/h7-8,10H,4-6H2,1-3H3;1H/q+1;/p-1/t7?,8-;/m0./s1
InChIKey
XLLKTFWSKNDYQJ-MTICXXPYSA-M
Canonic Smiles
O[C@H]1CC[N+](CC1C)(C)C.[I-]
Isomeric Smiles
[N+]1(CC(C)[C@H](CC1)O)(C)C.[I-]
Calculated Properties
JChem
Acid pKa
14.582092
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-4.174784
LogD (pH = 7.4)
-4.174783
Log P
-4.174784
Molar Refractivity
54.0424
Polarizability
16.81729
Polar Surface Area
20.23
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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