SMILES:
CCOc1c2c(c(OC(F)F)c3ccccc13)CN(c1ccc(CC(=O)O)cc1Cl)C2=OMolecular Processing
Molecular formula
C23H18ClF2NO5
Molecular weight
461.85
Exact mass
461.0842
XLogP
5.28
TPSA
76.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
115.05
Supplementary Information
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