SMILES:
N#CCC(n1cc(-c2ncnc3[nH]ccc23)cn1)C(F)(F)FMolecular Processing
Molecular formula
C13H9F3N6
Molecular weight
306.25
Exact mass
306.0841
XLogP
2.84
TPSA
83.18
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
70.43
Supplementary Information
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