SMILES:
COc1cc2c(cc1N1CCOCC1)C/C(=C\c1cccc(C(F)(F)F)c1F)C2=OMolecular Processing
Molecular formula
C22H19F4NO3
Molecular weight
421.39
Exact mass
421.1301
XLogP
4.51
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
103.44
Supplementary Information
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