SMILES:
COc1cn(-c2cc3c(cc2F)OC(F)(F)O3)nc(N)c1=OMolecular Processing
Molecular formula
C12H8F3N3O4
Molecular weight
315.21
Exact mass
315.0467
XLogP
1.28
TPSA
88.6
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
66.96
Supplementary Information
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