SMILES:
NCC12CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC1CCO2Molecular Processing
Molecular formula
C23H20F3N3O4
Molecular weight
459.42
Exact mass
459.1406
XLogP
2.66
TPSA
97.79
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
114.44
Supplementary Information
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