SMILES:
COc1cn(-c2cc3c(cc2F)OC(F)(F)O3)nc(-c2ccnn2-c2ccccc2)c1=OMolecular Processing
Molecular formula
C21H13F3N4O4
Molecular weight
442.35
Exact mass
442.0889
XLogP
3.55
TPSA
80.4
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
105.11
Supplementary Information
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