Molecule

ID:61235

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₅
Molecular Mass
317.38766
Exact Mass
317.16404563
Charge
0
InChI
InChI=1S/C19H19N5/c1-13-12-14(2)22-19(21-13)24-18(20)23-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-12H,1-2H3,(H3,20,21,22,23,24)
InChIKey
XJLAUUGAEXMSTE-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1ccccc1c1ccccc1)Nc1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)Nc1ccccc1c1ccccc1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
3.337621
LogD (pH = 7.4)
3.7863429
Log P
3.7965581
Molar Refractivity
109.4543
Polarizability
37.49416
Polar Surface Area
73.69
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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