Name: 2-(4-fluorophenyl)-4-bromomethyl-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone
SMILES:
CS(=O)(=O)c1ccc(-c2cnn(-c3ccc(F)cc3)c(=O)c2CBr)cc1Molecular Processing
Molecular formula
C18H14BrFN2O3S
Molecular weight
437.29
Exact mass
435.9893
XLogP
3.34
TPSA
69.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
100.97
Supplementary Information
Details werden geladen…
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