SMILES:
CC(=O)c1cc(Cl)c(N)c(C#N)c1FMolecular Processing
Molecular formula
C9H6ClFN2O
Molecular weight
212.61
Exact mass
212.0153
XLogP
2.14
TPSA
66.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
50.54
Supplementary Information
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