SMILES:
COc1ncc(-c2cc(C(F)(F)F)cc3[nH]ncc23)cn1Molecular Processing
Molecular formula
C13H9F3N4O
Molecular weight
294.24
Exact mass
294.0728
XLogP
3.05
TPSA
63.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
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
0.154
Molar refractivity
68.67
Supplementary Information
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