SMILES:
C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1NMolecular Processing
Molecular formula
C18H20FN3O3
Molecular weight
345.37
Exact mass
345.1489
XLogP
1.96
TPSA
88.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
92.75
Supplementary Information
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