Название: Compound 60
SMILES:
CNC[C@@H](Nc1ncnc2c(C(N)=O)ccnc12)c1cc(F)c(F)cc1FMolecular Processing
Molecular formula
C17H15F3N6O
Molecular weight
376.34
Exact mass
376.1259
XLogP
1.91
TPSA
105.82
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
92.46
Supplementary Information
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