COc1ccc(-c2cccc(C(F)(F)F)c2)c2c1C(=O)C(Cc1ccc(C(=O)O)cc1)C2
SMILES: COc1ccc(-c2cccc(C(F)(F)F)c2)c2c1C(=O)C(Cc1ccc(C(=O)O)cc1)C2

Molecular Processing

Molecular formula
C25H19F3O4
Molecular weight
440.42
Exact mass
440.1235
XLogP
5.68
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
112.06

Supplementary Information

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