SMILES:
O=C(O)c1cc(F)c(Oc2cnc(OCC3CC(F)(F)C3)c(Cl)c2)cc1FMolecular Processing
Molecular formula
C17H12ClF4NO4
Molecular weight
405.73
Exact mass
405.0391
XLogP
4.93
TPSA
68.65
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
85.8
Supplementary Information
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