SMILES:
O=C(Nc1cccc(CN2CCC(C(=O)O)C2)c1)c1cccc(C(F)(F)F)n1Molecular Processing
Molecular formula
C19H18F3N3O3
Molecular weight
393.37
Exact mass
393.13
XLogP
3.26
TPSA
82.53
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
94.65
Supplementary Information
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