SMILES:
C=CCC1CC(c2cccc(C(F)(F)F)c2)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=OMolecular Processing
Molecular formula
C26H21ClF3NO2
Molecular weight
471.91
Exact mass
471.1213
XLogP
7.82
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
122.56
Supplementary Information
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