Molecule

ID:32471

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂Si
Molecular Mass
300.4277
Exact Mass
300.12940442
Charge
0
InChI
InChI=1S/C16H20N2O2Si/c1-20-14-11-17-10-13(15(14)21(2,3)4)16(19)18-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,19)
InChIKey
DANYRTOROYBZFN-UHFFFAOYSA-N
Canonic Smiles
COc1cncc(c1[Si](C)(C)C)C(=O)Nc1ccccc1
Isomeric Smiles
c1(cncc(c1[Si](C)(C)C)C(=O)Nc1ccccc1)OC
Calculated Properties
JChem
Acid pKa
12.623019
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1206226
LogD (pH = 7.4)
3.1224737
Log P
3.1225
Molar Refractivity
81.9614
Polarizability
33.014572
Polar Surface Area
51.22
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
References
Bioactivity
Navigation