C[C@H](C(C(=O)Nc1cc(C2(CC(=O)O)CCC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F
SMILES: C[C@H](C(C(=O)Nc1cc(C2(CC(=O)O)CCC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F

Molecular Processing

Molecular formula
C23H22Cl2F3NO3
Molecular weight
488.33
Exact mass
487.0929
XLogP
6.81
TPSA
66.4
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
117.28

Supplementary Information

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