CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1nn(C)c(-c2cccc(C(F)(F)F)c2)c1O
SMILES: CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1nn(C)c(-c2cccc(C(F)(F)F)c2)c1O

Molecular Processing

Molecular formula
C21H17F3N4O4
Molecular weight
446.39
Exact mass
446.1202
XLogP
3.66
TPSA
116.81
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
108.39

Supplementary Information

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