Name: solution
SMILES:
C=CC(=O)N1CCC[C@@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(C(=O)O)ccc32)C1Molecular Processing
Molecular formula
C24H21F3N4O4
Molecular weight
486.45
Exact mass
486.1515
XLogP
4.36
TPSA
104.53
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
121.14
Supplementary Information
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