Molecule

ID:72134

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₆
Molecular Mass
334.41818
Exact Mass
334.19059473
Charge
0
InChI
InChI=1S/C19H22N6/c1-24(2)15-10-8-13(9-11-15)17-16(20)18(14-6-4-3-5-7-14)25-19(23-17)21-12-22-25/h3-12,16-18H,20H2,1-2H3,(H,21,22,23)
InChIKey
WXYHLZGFKWPBNJ-UHFFFAOYSA-N
Canonic Smiles
NC1C(Nc2n(C1c1ccccc1)ncn2)c1ccc(cc1)N(C)C
Isomeric Smiles
c12n(C(C(C(N1)c1ccc(N(C)C)cc1)N)c1ccccc1)ncn2
Calculated Properties
JChem
Acid pKa
16.664835
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.32078013
LogD (pH = 7.4)
1.1065874
Log P
2.639397
Molar Refractivity
112.4478
Polarizability
37.636364
Polar Surface Area
72.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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