Molecule

ID:65665

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇BrN₂O₂SSi
Molecular Mass
409.37288
Exact Mass
407.99633733
Charge
0
InChI
InChI=1S/C16H17BrN2O2SSi/c1-23(2,3)15-10-12-9-13(17)11-18-16(12)19(15)22(20,21)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKey
WVBKWSSKRHUTFF-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)cc(n2S(=O)(=O)c1ccccc1)[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1)cc(n2S(=O)(=O)c1ccccc1)[Si](C)(C)C)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.8230996
LogD (pH = 7.4)
4.8231
Log P
4.8231
Molar Refractivity
90.9002
Polarizability
38.903347
Polar Surface Area
51.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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