SMILES:
CC(=O)c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C#NMolecular Processing
Molecular formula
C13H6Cl2F3N3O
Molecular weight
348.11
Exact mass
346.984
XLogP
4.27
TPSA
58.68
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
73.31
Supplementary Information
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