SMILES:
C[NH2+]C.O=C([O-])c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C16H14ClF3N2O5
Molecular weight
406.74
Exact mass
406.0543
XLogP
2.23
TPSA
109.11
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.188
Molar refractivity
87.73
Supplementary Information
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