CC(C)CCC(c1ccc(C(=O)c2ccccc2)cc1)N1CCC(CC(=O)O)CC1c1ccc(C(F)(F)F)cc1
SMILES: CC(C)CCC(c1ccc(C(=O)c2ccccc2)cc1)N1CCC(CC(=O)O)CC1c1ccc(C(F)(F)F)cc1

Molecular Processing

Molecular formula
C33H36F3NO3
Molecular weight
551.65
Exact mass
551.2647
XLogP
8.34
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
149

Supplementary Information

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