COc1ccc(Cl)cc1C1(F)C(=O)N(C(=O)NC(C)(C)C(=O)O)c2cc(C(F)(F)F)ccc21
SMILES: COc1ccc(Cl)cc1C1(F)C(=O)N(C(=O)NC(C)(C)C(=O)O)c2cc(C(F)(F)F)ccc21

Molecular Processing

Molecular formula
C21H17ClF4N2O5
Molecular weight
488.82
Exact mass
488.0762
XLogP
4.5
TPSA
95.94
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
109.07

Supplementary Information

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