SMILES:
Cc1cc2ccccc2c(Cl)c1C(COC(=O)C(C)(C)C)OC(C)(C)C(F)FMolecular Processing
Molecular formula
C22H27ClF2O3
Molecular weight
412.9
Exact mass
412.1617
XLogP
6.49
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
108.02
Supplementary Information
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