Molecule

ID:91043

General Information
Structure
Molecular Formula
C₉H₁₃BrOSi
Molecular Mass
245.18842
Exact Mass
243.99190357
Charge
0
InChI
InChI=1S/C9H13BrOSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7H,1-3H3
InChIKey
HWKPTBHJWBSOOP-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)O[Si](C)(C)C
Isomeric Smiles
O(c1ccc(cc1)Br)[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0435
LogD (pH = 7.4)
4.0435
Log P
4.0435
Molar Refractivity
51.7876
Polarizability
22.22747
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation