Molecule

ID:61220

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N₅
Molecular Mass
281.35556
Exact Mass
281.16404563
Charge
0
InChI
InChI=1S/C16H19N5/c1-11-10-12(2)19-16(18-11)20-15(17)21-9-5-7-13-6-3-4-8-14(13)21/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,17,18,19,20)
InChIKey
WUZSHWPKXOJSKX-UHFFFAOYSA-N
Canonic Smiles
N=C(N1CCCc2c1cccc2)Nc1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)N1CCCc2c1cccc2)C
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.5999888
LogD (pH = 7.4)
2.725324
Log P
2.8047225
Molar Refractivity
96.4635
Polarizability
31.217693
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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