SMILES:
COC(=O)c1oc(C(=O)CC(O)(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1CMolecular Processing
Molecular formula
C17H12Cl3F3O5
Molecular weight
459.63
Exact mass
457.9702
XLogP
5.36
TPSA
76.74
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
95.16
Supplementary Information
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