CC(C)(C)C(=O)OC(C(=O)Nc1ccc(Cl)cc1C(O)(C#CC1CC1)C(F)(F)F)c1ccccc1
SMILES: CC(C)(C)C(=O)OC(C(=O)Nc1ccc(Cl)cc1C(O)(C#CC1CC1)C(F)(F)F)c1ccccc1

Molecular Processing

Molecular formula
C26H25ClF3NO4
Molecular weight
507.94
Exact mass
507.1424
XLogP
5.77
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
125.26

Supplementary Information

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