SMILES:
CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(O)C(F)(F)F)C1Molecular Processing
Molecular formula
C18H22Cl2F3NO4
Molecular weight
444.28
Exact mass
443.0878
XLogP
4.84
TPSA
59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
98.51
Supplementary Information
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