Molecule

ID:23709

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂OSi
Molecular Mass
250.41208
Exact Mass
250.15013987
Charge
0
InChI
InChI=1S/C13H22N2OSi/c1-13(2,3)12(16)15-10-7-8-14-9-11(10)17(4,5)6/h7-9H,1-6H3,(H,14,15,16)
InChIKey
IGQMORPEMZTJIZ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ccncc1[Si](C)(C)C
Isomeric Smiles
c1(cnccc1NC(=O)C(C)(C)C)[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
13.372738
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1536148
LogD (pH = 7.4)
3.4930105
Log P
3.5005
Molar Refractivity
68.5301
Polarizability
28.28842
Polar Surface Area
41.99
Rotatable Bonds
3
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