SMILES:
O=CCCCc1nccc(C(F)(F)F)n1Molecular Processing
Molecular formula
C9H9F3N2O
Molecular weight
218.18
Exact mass
218.0667
XLogP
2.02
TPSA
42.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
46.04
Supplementary Information
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