CC1(c2ccc3c(-c4ccc(OC(F)(F)F)cc4)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1
SMILES: CC1(c2ccc3c(-c4ccc(OC(F)(F)F)cc4)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1

Molecular Processing

Molecular formula
C31H34F3NO4
Molecular weight
541.61
Exact mass
541.244
XLogP
8.34
TPSA
56.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
143.73

Supplementary Information

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