Molecule

ID:61241

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N₅
Molecular Mass
281.35556
Exact Mass
281.16404563
Charge
0
InChI
InChI=1S/C16H19N5/c1-11-9-12(2)19-16(18-11)20-15(17)21-8-7-13-5-3-4-6-14(13)10-21/h3-6,9H,7-8,10H2,1-2H3,(H2,17,18,19,20)
InChIKey
LDZFOFPMHWIWHT-UHFFFAOYSA-N
Canonic Smiles
N=C(N1CCc2c(C1)cccc2)Nc1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)N1CCc2c(C1)cccc2)C
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.03000462
LogD (pH = 7.4)
1.404387
Log P
2.269202
Molar Refractivity
95.9766
Polarizability
31.215242
Polar Surface Area
64.9
Rotatable Bonds
1
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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