SMILES:
Cl.N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1Molecular Processing
Molecular formula
C17H18Cl2FN3O3
Molecular weight
402.25
Exact mass
401.0709
XLogP
2.79
TPSA
88.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.412
Molar refractivity
100.46
Supplementary Information
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