SMILES:
C[C@@H](n1cnn(-c2ccc(OCC(F)(F)F)cc2)c1=O)[C@@]1(c2ccc(F)cc2F)CO1Molecular Processing
Molecular formula
C20H16F5N3O3
Molecular weight
441.36
Exact mass
441.1112
XLogP
3.74
TPSA
61.58
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
98.07
Supplementary Information
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