SMILES:
C1CCC([NH2+]C2CCCCC2)CC1.O=C([O-])c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C26H30ClF3N2O5
Molecular weight
542.98
Exact mass
542.1795
XLogP
5.64
TPSA
109.11
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
129.63
Supplementary Information
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