Chem 55 Dibromo 2461h3h5h Pyrimidinetrione

Compound 30
  CheckMol                        TMF02:r0:m0
MF=C4H2Br2N2O3 MW=285.88
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7352   -1.2925   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7826   -1.2806   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7233   -2.7865   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.5336   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929   -3.5335   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158   -3.5335   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158    0.9842   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3201   -1.2806   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3082   -2.7746   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6007   -3.5216   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  1  0  0
  2  5  1  0  1  0  0
  4  6  2  0  0  0  0
  4  7  1  0  1  0  0
  5  8  2  0  0  0  0
  5  9  1  0  1  0  0
  7 10  1  0  1  0  0
 10 11  2  0  0  0  0
  9 10  1  0  1  0  0
M  END

5,5-Dibromo-2,4,6(1h,3h,5h)-Pyrimidinetrione

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Chemical Name - 5,5-Dibromo-2,4,6(1h,3h,5h)-Pyrimidinetrione
Mol Weight - 285.879
Smiles - O=C(C(C(N1)=O)(Br)Br)NC1=O

Property Name	Property Value
Mol Name	5,5-Dibromo-2,4,6(1h,3h,5h)-Pyrimidinetrione
Molweight	285.879
Monoisotopic Mass	283.843215
Clogp	-0.2288
Clogs	-2.174
H Acceptors	5
H Donors	2
Total Surface Area	123.84
Relative Psa	0.50097
Polar Surface Area	75.27
Druglikeness	-3.2792
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.54545
Molecular Flexibility	0.21203
Molecular Complexity	0.73778
Fragments	1
Non H Atoms	11
Non Ch Atoms	7
Electronegative Atoms	7
Rings Closures	1
Small Rings	1
Sp3 Atoms	1
Symmetric Atoms	4
Amides	2
Smiles	O=C(C(C(N1)=O)(Br)Br)NC1=O
InChIKey	InChI=1S/C4H2Br2N2O3/c5-4(6)1(9)7-3(11)8-2(4)10/h(H2,7,8,9,10,11)
InChI	AMATXUCYHHHHHB-UHFFFAOYSA-N

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5,5-Dibromo-2,4,6(1h,3h,5h)-Pyrimidinetrione