O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(O)c(Cl)cc1F
Name: 3-[4-chloro-2-fluoro-5-(hydroxy)phenyl]-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione
SMILES: O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(O)c(Cl)cc1F

Molecular Processing

Molecular formula
C11H5ClF4N2O3
Molecular weight
324.62
Exact mass
323.9925
XLogP
2.04
TPSA
75.09
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
64.29

Supplementary Information

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