Molecule

ID:61244

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅N₅
Molecular Mass
323.4353
Exact Mass
323.21099583
Charge
0
InChI
InChI=1S/C19H25N5/c1-14-12-15(2)22-19(21-14)23-18(20)24-10-8-17(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H2,20,21,22,23)
InChIKey
WFROMEGOURCVLP-UHFFFAOYSA-N
Canonic Smiles
N=C(N1CCC(CC1)Cc1ccccc1)Nc1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)N1CCC(CC1)Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.96339834
LogD (pH = 7.4)
2.3078928
Log P
3.2205982
Molar Refractivity
109.441
Polarizability
36.7496
Polar Surface Area
64.9
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
No Data Available
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Molecule Details
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References
Bioactivity
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