Molecule

ID:89974

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄BrNO₃SSi
Molecular Mass
394.39976
Exact Mass
393.04295317
Charge
0
InChI
InChI=1S/C14H24BrNO3SSi/c1-14(2,3)21(4,5)19-11-10-16-20(17,18)13-8-6-12(15)7-9-13/h6-9,16H,10-11H2,1-5H3
InChIKey
MDGPCUSYXKGALX-UHFFFAOYSA-N
Canonic Smiles
CC([Si](OCCNS(=O)(=O)c1ccc(cc1)Br)(C)C)(C)C
Isomeric Smiles
Brc1ccc(cc1)S(=O)(=O)NCCO[Si](C(C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
9.615962
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.838469
LogD (pH = 7.4)
3.836057
Log P
3.8385
Molar Refractivity
86.8758
Polarizability
36.782352
Polar Surface Area
55.4
Rotatable Bonds
6
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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