O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]c1=O
名称: 4-carboxy-6-(4-trifluoromethylphenyl)-2H-pyridazin-3-one
SMILES: O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]c1=O

Molecular Processing

Molecular formula
C12H7F3N2O3
Molecular weight
284.19
Exact mass
284.0409
XLogP
2.15
TPSA
83.05
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
62.25

Supplementary Information

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