Molecule

ID:75432

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈N₂O₅Si
Molecular Mass
356.48942
Exact Mass
356.17674854
Charge
0
InChI
InChI=1S/C16H28N2O5Si/c1-10-8-18(15(21)17-14(10)20)13-7-11(19)12(23-13)9-22-24(5,6)16(2,3)4/h8,11-13,19H,7,9H2,1-6H3,(H,17,20,21)/t11-,12+,13+/m1/s1
InChIKey
IJWIJLIIOKZJMS-AGIUHOORSA-N
Canonic Smiles
O[C@@H]1C[C@H](O[C@H]1CO[Si](C(C)(C)C)(C)C)n1cc(C)c(=O)[nH]c1=O
Isomeric Smiles
n1([C@H]2O[C@@H](CO[Si](C(C)(C)C)(C)C)[C@@H](C2)O)c(=O)[nH]c(=O)c(c1)C
Calculated Properties
JChem
Acid pKa
9.960286
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.865185
LogD (pH = 7.4)
1.8640149
Log P
1.8652
Molar Refractivity
85.2601
Polarizability
35.94456
Polar Surface Area
88.1
Rotatable Bonds
5
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