Molecule

ID:61229

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₅O
Molecular Mass
285.34426
Exact Mass
285.15896025
Charge
0
InChI
InChI=1S/C15H19N5O/c1-4-21-13-8-6-5-7-12(13)19-14(16)20-15-17-10(2)9-11(3)18-15/h5-9H,4H2,1-3H3,(H3,16,17,18,19,20)
InChIKey
TXIGPGZVKCDYGZ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1NC(=N)Nc1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)Nc1ccccc1OCC)C
Calculated Properties
JChem
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
1.7764742
LogD (pH = 7.4)
2.3336291
Log P
2.3484693
Molar Refractivity
95.5299
Polarizability
30.862469
Polar Surface Area
82.92
Rotatable Bonds
4
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
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References
Bioactivity
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