Molecule

ID:126712

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₄
Molecular Mass
306.40478
Exact Mass
306.18444672
Charge
0
InChI
InChI=1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h9-11,18-19,22H,1-8H2
InChIKey
WUPRCGRRQUZFAB-UHFFFAOYSA-N
Canonic Smiles
C1C/C/2=C/C3=N/C(=C\C4=NC(C5N/C(=C/C1=N2)/CC5)CC4)/CC3
Isomeric Smiles
N1=C2CC/C/1=C/C1=N/C(=C\C3=NC(C4N/C(=C/2)/CC4)CC3)/CC1
Calculated Properties
JChem
Acid pKa
17.27061
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-7.639731
LogD (pH = 7.4)
-3.127672
Log P
1.478859
Molar Refractivity
96.0413
Polarizability
34.676643
Polar Surface Area
49.11
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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