Molecule

ID:33029

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂BrNOSi
Molecular Mass
270.19788
Exact Mass
268.98715254
Charge
0
InChI
InChI=1S/C10H12BrNOSi/c1-14(2,3)10-5-8-9(13-10)4-7(11)6-12-8/h4-6H,1-3H3
InChIKey
IXYOZGPZWPDQKP-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)oc(c2)[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)[Si](C)(C)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7316697
LogD (pH = 7.4)
3.7316997
Log P
3.7317
Molar Refractivity
55.3099
Polarizability
25.013422
Polar Surface Area
26.03
Rotatable Bonds
1
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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