Nombre: Compound 95
SMILES:
CN1C(=O)C(C)(C(=O)CO)Oc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc21Molecular Processing
Molecular formula
C19H14ClF4NO5
Molecular weight
447.77
Exact mass
447.0497
XLogP
3.97
TPSA
76.07
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
97.46
Supplementary Information
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