Name: 6-(5-chloro-3-ethyl-benzofuran-2-sulfonyl)-2H-pyridazin-3-one
SMILES:
CCc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(Cl)cc12Molecular Processing
Molecular formula
C14H11ClN2O4S
Molecular weight
338.77
Exact mass
338.0128
XLogP
2.56
TPSA
93.03
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
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
0.143
Molar refractivity
80.91
Supplementary Information
Details werden geladen…
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