SMILES:
O=C(O)c1cn(C2CC2F)c2c(Cl)c(F)c(F)cc2c1=OMolecular Processing
Molecular formula
C13H7ClF3NO3
Molecular weight
317.65
Exact mass
317.0067
XLogP
2.91
TPSA
59.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
68.64
Supplementary Information
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