SMILES:
Nc1c(C(=O)c2cccc(OCC3COC(=O)O3)c2)cnn1-c1ccc(F)cc1Molecular Processing
Molecular formula
C20H16FN3O5
Molecular weight
397.36
Exact mass
397.1074
XLogP
2.74
TPSA
105.67
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
99.52
Supplementary Information
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