CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1CO
SMILES: CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1CO

Molecular Processing

Molecular formula
C21H16F9NO3
Molecular weight
501.35
Exact mass
501.0986
XLogP
6.32
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
98.04

Supplementary Information

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