SMILES:
N#CCC(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)FMolecular Processing
Molecular formula
C11H6Cl2F3N3O
Molecular weight
324.09
Exact mass
322.984
XLogP
3.53
TPSA
72.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
66.3
Supplementary Information
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