Molecule

ID:32488

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄BrNOSi
Molecular Mass
260.20306
Exact Mass
259.00280261
Charge
0
InChI
InChI=1S/C9H14BrNOSi/c1-12-8-5-7(10)6-11-9(8)13(2,3)4/h5-6H,1-4H3
InChIKey
VIXHZRDZEGWBCX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Br)cnc1[Si](C)(C)C
Isomeric Smiles
c1(cnc(c(c1)OC)[Si](C)(C)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.554681
LogD (pH = 7.4)
3.5569708
Log P
3.557
Molar Refractivity
54.3642
Polarizability
23.218037
Polar Surface Area
22.12
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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