Molecule

ID:98685

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂F₁₇Si
Molecular Mass
561.1376344
Exact Mass
559.94226186
Charge
0
InChI
InChI=1S/C11H7Cl2F17Si/c1-31(12,13)3-2-4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h2-3H2,1H3
InChIKey
PVBMWIXRKLGXPI-UHFFFAOYSA-N
Canonic Smiles
C[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl
Isomeric Smiles
[Si](CCC(F)(C(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)F)(Cl)(Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.3126
LogD (pH = 7.4)
8.3126
Log P
8.3126
Molar Refractivity
66.6589
Polarizability
27.412558
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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