[N-]=[N+]=NCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCC(F)(F)F)cn1
SMILES: [N-]=[N+]=NCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCC(F)(F)F)cn1

Molecular Processing

Molecular formula
C16H11F7N4O2
Molecular weight
424.28
Exact mass
424.077
XLogP
4.59
TPSA
91.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
83.95

Supplementary Information

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