SMILES:
COc1cc(-c2cccc(-c3cccc(C(F)(F)F)n3)c2)ccc1OMolecular Processing
Molecular formula
C19H14F3NO2
Molecular weight
345.32
Exact mass
345.0977
XLogP
5.15
TPSA
42.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
88.33
Supplementary Information
Récupération des détails…
Impliqué dans 6 réactions→