SMILES:
CN1CC(CCN2CCC2)Oc2ccc(C(F)(F)F)cc2C1=O.O=C(O)C(=O)OMolecular Processing
Molecular formula
C18H21F3N2O6
Molecular weight
418.37
Exact mass
418.1352
XLogP
1.79
TPSA
107.38
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
93.77
Supplementary Information
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