C[C@@H](n1nnn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O)[C@@]1(c2ccc(F)cc2F)CO1
SMILES: C[C@@H](n1nnn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O)[C@@]1(c2ccc(F)cc2F)CO1

Molecular Processing

Molecular formula
C20H16F6N4O3
Molecular weight
474.36
Exact mass
474.1127
XLogP
3.47
TPSA
74.47
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
100.76

Supplementary Information

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