Molecule

ID:54551

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₅BFIN₂O₂Si
Molecular Mass
544.3248732
Exact Mass
544.15896152
Charge
0
InChI
InChI=1S/C22H35BFIN2O2Si/c1-13(2)30(14(3)4,15(5)6)27-12-11-16-17(18(24)19(25)26-20(16)27)23-28-21(7,8)22(9,10)29-23/h11-15H,1-10H3
InChIKey
MZHMAZCHBDRSCC-UHFFFAOYSA-N
Canonic Smiles
Fc1c(I)nc2c(c1B1OC(C(O1)(C)C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(c(nc2c(c1B1OC(C(O1)(C)C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C)I)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.6766
LogD (pH = 7.4)
7.6766
Log P
7.6766
Molar Refractivity
123.1687
Polarizability
51.951206
Polar Surface Area
36.28
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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