Molecule

ID:65840

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₂BNO₅Si
Molecular Mass
393.35758
Exact Mass
393.21428006
Charge
0
InChI
InChI=1S/C19H32BNO5Si/c1-17(2,3)27(8,9)24-13-14-15(11-10-12-16(14)21(22)23)20-25-18(4,5)19(6,7)26-20/h10-12H,13H2,1-9H3
InChIKey
SKQVCOFMZVVDQI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1CO[Si](C(C)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1ccc(c(c1B1OC(C(O1)(C)C)(C)C)CO[Si](C)(C)C(C)(C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
5.8822
LogD (pH = 7.4)
5.8822
Log P
5.8822
Molar Refractivity
99.7018
Polarizability
42.375683
Polar Surface Area
73.51
Rotatable Bonds
6
Lipinski's Rule of Five
false
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