Compound 7
  CheckMol                        TMF02:r0:m0
MF=C8H14N4OS MW=214.28
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126   -0.7332   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2890   -0.7332   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6253    0.0355   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3245   -2.2232   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9379   -0.6977   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9682   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -2.9564   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9498   -2.1877   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6489   -4.4464   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2624   -2.9209   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5292   -4.2099   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5750   -3.6541   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0192   -1.6083   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  8  9 01  0  1  0  0
M  END

2D Structure

Metribuzin

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Chemical Name - Metribuzin
Mol Weight - 214.292
Smiles - CC(C)(C)C(C(N1N)=O)=NN=C1SC

Property Name	Property Value
Mol Name	Metribuzin
Molweight	214.292
Monoisotopic Mass	214.088831
Clogp	1.0058
Clogs	-2.708
H Acceptors	5
H Donors	1
Total Surface Area	159.45
Relative Psa	0.45387
Polar Surface Area	96.35
Druglikeness	-4.0821
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.40879
Molecular Complexity	0.68273
Fragments	1
Non H Atoms	14
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	7
Symmetric Atoms	2
Smiles	CC(C)(C)C(C(N1N)=O)=NN=C1SC
InChIKey	InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
InChI	FOXFZRUHNHCZPX-UHFFFAOYSA-N

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