Molecule

ID:110558

General Information
Structure
MolImage
Molecular Formula
C₉H₂₄I₂N₂O
Molecular Mass
430.1086
Exact Mass
429.9978094
Charge
0
InChI
InChI=1S/C9H24N2O.2HI/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
UOZDOLIXBYLRAC-UHFFFAOYSA-L
Canonic Smiles
OC(C[N+](C)(C)C)C[N+](C)(C)C.[I-].[I-]
Isomeric Smiles
[I-].[I-].C[N+](C)(C)CC(O)C[N+](C)(C)C
Calculated Properties
JChem
Acid pKa
11.683004
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-8.746189
LogD (pH = 7.4)
-8.745765
Log P
-8.746194
Molar Refractivity
75.7969
Polarizability
20.852009
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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