Molecule

ID:83680

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₅I
Molecular Mass
496.55067
Exact Mass
496.25659944
Charge
0
InChI
InChI=1S/C27H45I/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3
InChIKey
PMVJGSYGUZXDAR-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)I)C)C
Isomeric Smiles
IC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(CCCC(C)C)C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.979476
LogD (pH = 7.4)
8.979476
Log P
8.979476
Molar Refractivity
131.9489
Polarizability
52.0388
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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