Compound 9
  CheckMol                        TMF02:r0:m0
MF=C8H14ClN5 MW=215.69
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -0.7489   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2839   -2.2468   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5916    0.0119   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5797   -2.9839   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8874   -0.7371   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8755   -2.2231   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5678   -4.4818   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1832    0.0238   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2482   -5.2189   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4790   -0.7133   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0713   -4.4580   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2364   -6.7168   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7748    0.0476   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

2D Structure

Atrazine

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Chemical Name - Atrazine
Mol Weight - 215.687
Smiles - CCNc1nc(Cl)nc(NC(C)C)n1

Property Name	Property Value
Mol Name	Atrazine
Molweight	215.687
Monoisotopic Mass	215.093772
Clogp	2.0257
Clogs	-3.134
H Acceptors	5
H Donors	2
Total Surface Area	170.92
Relative Psa	0.32664
Polar Surface Area	62.73
Druglikeness	1.3079
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.64286
Molecular Flexibility	0.45367
Molecular Complexity	0.56446
Fragments	1
Non H Atoms	14
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Symmetric Atoms	1
Aromatic Nitrogens	3
Smiles	CCNc1nc(Cl)nc(NC(C)C)n1
InChIKey	InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChI	MXWJVTOOROXGIU-UHFFFAOYSA-N

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