Nombre: 3-((3-iodopyridin-4-yloxy)methyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILES:
Ic1cnccc1OCc1nnc2ccc(-c3ccccc3)nn12Molecular Processing
Molecular formula
C17H12IN5O
Molecular weight
429.22
Exact mass
429.0087
XLogP
3.37
TPSA
65.2
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
97.5
Supplementary Information
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