Molecule

ID:51152

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrO₃Si
Molecular Mass
331.27766
Exact Mass
330.028683
Charge
0
InChI
InChI=1S/C13H19BrO3Si/c1-13(2,3)18(4,5)17-11-7-6-10(16)9(8-15)12(11)14/h6-8,16H,1-5H3
InChIKey
HCYCLKLRRFOJTQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(O)ccc(c1Br)O[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(c(c(O[Si](C(C)(C)C)(C)C)ccc1O)Br)C=O
Calculated Properties
JChem
Acid pKa
8.353693
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.812194
LogD (pH = 7.4)
4.7671137
Log P
4.8128
Molar Refractivity
74.0747
Polarizability
30.318811
Polar Surface Area
46.53
Rotatable Bonds
4
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
暂无数据
点击上传数据
References
Bioactivity
Navigation