SMILES:
Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CCC(c1ccccc1)O2Molecular Processing
Molecular formula
C22H18F3NO2
Molecular weight
385.39
Exact mass
385.129
XLogP
6.15
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
100.5
Supplementary Information
Récupération des détails…
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