SMILES:
CCCC(c1ccc(C(=O)NCCC(=O)OCC)cc1)C(c1ccc(Cl)cc1)c1ccc(F)c2ccccc12Molecular Processing
Molecular formula
C33H33ClFNO3
Molecular weight
546.08
Exact mass
545.2133
XLogP
8.03
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
154.88
Supplementary Information
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