Name: 3-(4,6-dichloro-2,3-dihydro-2,2-dimethylbenzofuran-3-on-7-yl)-1-methyl-6-trifluoromethyluracil
SMILES:
Cn1c(C(F)(F)F)cc(=O)n(-c2c(Cl)cc(Cl)c3c2OC(C)(C)C3=O)c1=OMolecular Processing
Molecular formula
C16H11Cl2F3N2O4
Molecular weight
423.17
Exact mass
422.0048
XLogP
3.22
TPSA
70.3
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
91.34
Supplementary Information
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