Name: 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone
SMILES:
CS(=O)(=O)c1ccc(-c2cnn(-c3ccc(F)c(F)c3)c(=O)c2-c2ccc(F)cc2)cc1Molecular Processing
Molecular formula
C23H15F3N2O3S
Molecular weight
456.45
Exact mass
456.0755
XLogP
4.39
TPSA
69.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.043
Molar refractivity
113.69
Supplementary Information
Details werden geladen…
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