CC(C)(Oc1ccc(CCC(OCC2CCCCC2)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1Cl)C(=O)O
SMILES: CC(C)(Oc1ccc(CCC(OCC2CCCCC2)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1Cl)C(=O)O

Molecular Processing

Molecular formula
C31H33Cl2F3O4S
Molecular weight
629.57
Exact mass
628.1429
XLogP
10.25
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
157.15

Supplementary Information

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