SMILES:
Cc1nc(C#Cc2ccnc(Cl)c2)cn1CC(F)(F)FMolecular Processing
Molecular formula
C13H9ClF3N3
Molecular weight
299.68
Exact mass
299.0437
XLogP
3.2
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
68.25
Supplementary Information
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