Nom: Compound 49
SMILES:
CNC[C@@H](Nc1ncnc2c(C(N)=O)ccnc12)c1ccc(F)c(C(F)(F)F)c1Molecular Processing
Molecular formula
C18H16F4N6O
Molecular weight
408.36
Exact mass
408.1322
XLogP
2.65
TPSA
105.82
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
97.54
Supplementary Information
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