Molecule

ID:73036

General Information
Structure
MolImage
Molecular Formula
C₃₀H₆₀I₃N₃O₃
Molecular Mass
891.52911
Exact Mass
891.1768868
Charge
0
InChI
InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3
InChIKey
REEUVFCVXKWOFE-UHFFFAOYSA-K
Canonic Smiles
CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC.[I-].[I-].[I-]
Isomeric Smiles
c1(cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
Calculated Properties
Provided by Enamine
CLogP
-5.40
H Donor
0
Polar Surface Area
27.69
Rotatable Bonds
21
JChem
Polar Surface Area
27.69
H Donor
0
H Acceptors
3
Rotatable Bonds
21
Lipinski's Rule of Five
false
Log P
-7.72
LogD (pH = 5.5)
-7.72
LogD (pH = 7.4)
-7.72
Molar Refractivity
189.98
Polarizability
60.97
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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