Molecule

ID:32980

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₂OSi
Molecular Mass
308.87854
Exact Mass
308.11116751
Charge
0
InChI
InChI=1S/C15H21ClN2OSi/c1-15(2,3)14(19)18-12-8-7-11(17-13(12)16)9-10-20(4,5)6/h7-8H,1-6H3,(H,18,19)
InChIKey
LAEHODITYKHIBE-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(ccc1NC(=O)C(C)(C)C)C#C[Si](C)(C)C
Isomeric Smiles
c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)C#C[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
11.852786
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.2028995
LogD (pH = 7.4)
5.202885
Log P
5.2029
Molar Refractivity
78.1972
Polarizability
32.820843
Polar Surface Area
41.99
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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