SMILES:
O=C1CC(c2cccc(-c3ccnc(CO)c3)c2)=Nc2cc(C(F)(F)F)c(C(F)(F)F)cc2N1Molecular Processing
Molecular formula
C23H15F6N3O2
Molecular weight
479.38
Exact mass
479.1068
XLogP
5.74
TPSA
74.58
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
111.49
Supplementary Information
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