SMILES:
CC(C)(Oc1ccc(CCC(O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1Cl)C(=O)OMolecular Processing
Molecular formula
C24H21Cl2F3O4S
Molecular weight
533.4
Exact mass
532.049
XLogP
7.65
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
126.84
Supplementary Information
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