Molecule

ID:64474

General Information
Structure
Molecular Formula
C₉H₁₆BrNSSi
Molecular Mass
278.28454
Exact Mass
276.99560905
Charge
0
InChI
InChI=1S/C9H16BrNSSi/c1-9(2,3)13(4,5)8-11-6-7(10)12-8/h6H,1-5H3
InChIKey
BGLPSYCSWHSYBG-UHFFFAOYSA-N
Canonic Smiles
CC([Si](c1ncc(s1)Br)(C)C)(C)C
Isomeric Smiles
c1(sc(cn1)Br)[Si](C(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1184855
LogD (pH = 7.4)
4.1185985
Log P
4.1186
Molar Refractivity
57.5392
Polarizability
24.950403
Polar Surface Area
12.89
Rotatable Bonds
2
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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