Molecule

ID:109769

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₁I
Molecular Mass
456.48681
Exact Mass
456.22529931
Charge
0
InChI
InChI=1S/C24H41I/c1-17(7-6-16-25)20-11-12-21-19-10-9-18-8-4-5-14-23(18,2)22(19)13-15-24(20,21)3/h17-22H,4-16H2,1-3H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
InChIKey
HBAQUSMBLAIDOW-OBUPQJQESA-N
Canonic Smiles
ICCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCCC2)C
Isomeric Smiles
ICCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2CCCC[C@]12C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.262717
LogD (pH = 7.4)
8.262717
Log P
8.262717
Molar Refractivity
117.5583
Polarizability
46.768677
Polar Surface Area
0.0
Rotatable Bonds
4
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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