이름: N-[5-(6-chloroimidazo[2,1-f]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethyl-propanamide
SMILES:
CC(C)(C)C(=O)Nc1cc(-c2cn3nc(Cl)ccc3n2)ccc1C(F)(F)FMolecular Processing
Molecular formula
C18H16ClF3N4O
Molecular weight
396.8
Exact mass
396.0965
XLogP
5.05
TPSA
59.29
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
96.52
Supplementary Information
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