Molecule

ID:44954

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀N₂O₃Si
Molecular Mass
362.5386
Exact Mass
362.20256936
Charge
0
InChI
InChI=1S/C19H30N2O3Si/c1-18(2,3)17(22)21-14-9-10-20-15-11-13(24-16(14)15)12-23-25(7,8)19(4,5)6/h9-11H,12H2,1-8H3,(H,20,21,22)
InChIKey
LZUUGADYQQZQNM-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ccnc2c1oc(c2)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1cnc2c(c1NC(=O)C(C)(C)C)oc(c2)CO[Si](C(C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
11.572396
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.3796973
LogD (pH = 7.4)
4.386089
Log P
4.3862
Molar Refractivity
97.4771
Polarizability
40.733814
Polar Surface Area
64.36
Rotatable Bonds
6
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