Nombre: 2-benzyl-4-chloro-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone
SMILES:
CS(=O)(=O)c1ccc(-c2cnn(Cc3ccccc3)c(=O)c2Cl)cc1Molecular Processing
Molecular formula
C18H15ClN2O3S
Molecular weight
374.85
Exact mass
374.0492
XLogP
3.02
TPSA
69.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
97.6
Supplementary Information
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