Molecule

ID:32564

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₅OSi
Molecular Mass
315.44564
Exact Mass
315.15153685
Charge
0
InChI
InChI=1S/C15H21N5OSi/c1-22(2,3)7-6-21-11-20-5-4-13-14(12-8-18-19-9-12)16-10-17-15(13)20/h4-5,8-10H,6-7,11H2,1-3H3,(H,18,19)
InChIKey
AVMLPTWVYQXRSV-UHFFFAOYSA-N
Canonic Smiles
C[Si](CCOCn1ccc2c1ncnc2c1c[nH]nc1)(C)C
Isomeric Smiles
n1cnc2c(c1c1c[nH]nc1)ccn2COCC[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
13.284107
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.922144
LogD (pH = 7.4)
3.1431925
Log P
3.1469
Molar Refractivity
83.3933
Polarizability
35.528275
Polar Surface Area
68.62
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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