Molecule

ID:51617

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₄N₂O₂Si
Molecular Mass
350.57096
Exact Mass
350.23895487
Charge
0
InChI
InChI=1S/C19H34N2O2Si/c1-18(2,3)17(22)21-16-15(11-9-13-20-16)12-10-14-23-24(7,8)19(4,5)6/h9,11,13H,10,12,14H2,1-8H3,(H,20,21,22)
InChIKey
MYQUECVILKJYDX-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ncccc1CCCO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1cnc(c(c1)CCCO[Si](C(C)(C)C)(C)C)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
12.022979
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.2504954
LogD (pH = 7.4)
5.290158
Log P
5.2907
Molar Refractivity
98.8
Polarizability
39.957973
Polar Surface Area
51.22
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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