SMILES:
COc1cn(-c2cc3c(cc2F)OC(F)(F)O3)nc(C(=O)O)c1=OMolecular Processing
Molecular formula
C13H7F3N2O6
Molecular weight
344.2
Exact mass
344.0256
XLogP
1.4
TPSA
99.88
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
69.51
Supplementary Information
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