SMILES:
O=C1CCc2cc(/C=C/C(=O)N3CC(OCCC(F)(F)F)C3)cnc2N1Molecular Processing
Molecular formula
C17H18F3N3O3
Molecular weight
369.34
Exact mass
369.13
XLogP
2.16
TPSA
71.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
87.21
Supplementary Information
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