Molecule

ID:65822

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁BrFNOSi
Molecular Mass
334.2998432
Exact Mass
333.05598105
Charge
0
InChI
InChI=1S/C13H21BrFNOSi/c1-13(2,3)18(4,5)17-8-9-10(14)6-7-11(15)12(9)16/h6-7H,8,16H2,1-5H3
InChIKey
VESAPANHQOOZHC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1CO[Si](C(C)(C)C)(C)C)N)F
Isomeric Smiles
c1cc(c(c(c1Br)CO[Si](C)(C)C(C)(C)C)N)F
Calculated Properties
JChem
Acid pKa
16.900806
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.222884
LogD (pH = 7.4)
4.2229
Log P
4.2229
Molar Refractivity
75.2616
Polarizability
30.469673
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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