Molecule

ID:12993

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₄
Molecular Mass
280.3675
Exact Mass
280.16879666
Charge
0
InChI
InChI=1S/C17H20N4/c1-9-6-7-14(8-15(9)18)21-12(4)16-10(2)19-20-11(3)17(16)13(21)5/h6-8H,18H2,1-5H3
InChIKey
OBKZEVMWVGYNFV-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1C)n1c(C)c2c(c1C)c(C)nnc2C
Isomeric Smiles
n1nc(c2c(c1C)c(n(c2C)c1ccc(c(c1)N)C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9313437
LogD (pH = 7.4)
0.9752168
Log P
0.9758
Molar Refractivity
99.191
Polarizability
34.060192
Polar Surface Area
56.73
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
No Data Available
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Molecule Details
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References
Bioactivity
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