이름: 4-chloro-5-(methylamino)-2-(α,α,α-trifluoro-m-toluyl)-3-(2H)-pyridazinone
SMILES:
CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1ClMolecular Processing
Molecular formula
C12H9ClF3N3O
Molecular weight
303.67
Exact mass
303.0386
XLogP
2.95
TPSA
46.92
H-bond donors
1
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
0.167
Molar refractivity
69.39
Supplementary Information
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