Molecule

ID:54583

General Information
Structure
Molecular Formula
C₁₃H₂₀FIN₂OSi
Molecular Mass
394.2990732
Exact Mass
394.03736602
Charge
0
InChI
InChI=1S/C13H20FIN2OSi/c1-13(2,3)12(18)17-11-9(15)10(19(4,5)6)8(14)7-16-11/h7H,1-6H3,(H,16,17,18)
InChIKey
NNHKPEYROUUKOG-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ncc(c(c1I)[Si](C)(C)C)F
Isomeric Smiles
c1(cnc(c(c1[Si](C)(C)C)I)NC(=O)C(C)(C)C)F
Calculated Properties
JChem
Acid pKa
11.680283
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.329199
LogD (pH = 7.4)
5.329178
Log P
5.3292
Molar Refractivity
82.4225
Polarizability
33.21079
Polar Surface Area
41.99
Rotatable Bonds
3
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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