Name: 4-(3-iodo-4-fluorophenyl)-7-ethyl-7H-imidazo[4,5-c]pyridazine
SMILES:
CCn1cnc2c(-c3ccc(F)c(I)c3)cnnc21Molecular Processing
Molecular formula
C13H10FIN4
Molecular weight
368.15
Exact mass
367.9934
XLogP
3.26
TPSA
43.6
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
79.11
Supplementary Information
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