Oc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccncc2)c(F)c1
SMILES: Oc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccncc2)c(F)c1

Molecular Processing

Molecular formula
C16H11F4N3O
Molecular weight
337.28
Exact mass
337.0838
XLogP
4.02
TPSA
50.94
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
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
0.125
Molar refractivity
78.57

Supplementary Information

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