Cc1cc2nc(C(F)(F)F)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O
SMILES: Cc1cc2nc(C(F)(F)F)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

Molecular Processing

Molecular formula
C23H21ClF3NO3
Molecular weight
451.87
Exact mass
451.1162
XLogP
6.82
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
113.14

Supplementary Information

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