Molecule

ID:54547

General Information
Structure
Molecular Formula
C₁₇H₂₄F₃IN₂Si
Molecular Mass
468.3710396
Exact Mass
468.07055797
Charge
0
InChI
InChI=1S/C17H24F3IN2Si/c1-10(2)24(11(3)4,12(5)6)23-8-7-13-15(21)14(17(18,19)20)9-22-16(13)23/h7-12H,1-6H3
InChIKey
BNCSOAGCBQPTNQ-UHFFFAOYSA-N
Canonic Smiles
CC([Si](n1ccc2c1ncc(c2I)C(F)(F)F)(C(C)C)C(C)C)C
Isomeric Smiles
c1(cnc2c(c1I)ccn2[Si](C(C)C)(C(C)C)C(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.368701
LogD (pH = 7.4)
6.3688974
Log P
6.3689
Molar Refractivity
99.5628
Polarizability
39.693935
Polar Surface Area
17.82
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation