Molecule

ID:94688

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄BF₄Ir
Molecular Mass
495.3833728
Exact Mass
496.15364505
Charge
0
InChI
InChI=1S/2C8H12.BF4.Ir/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;+1
InChIKey
NKIQXDAGMKBVPE-UHFFFAOYSA-N
Canonic Smiles
C1CC=CCCC=C1.C1CC=CCCC=C1.F[B-](F)(F)F.[Ir+]
Isomeric Smiles
[B-](F)(F)(F)F.[Ir+].C1=CCCC=CCC1.C1=CCCC=CCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.832706
LogD (pH = 7.4)
2.832706
Log P
2.832706
Molar Refractivity
39.0412
Polarizability
14.319889
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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