Compound 6
  CheckMol                        TMF02:r0:m0
MF=C9H7N3S MW=189.23
 13 15  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0 00  0  0  0  0  0  0  0  0  0  0
    1.4754   -0.1416   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.3187    1.4754   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5730   -1.1331   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.0773    1.2393   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    0.9678    2.2425   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.6288    2.2425   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8595   -0.3659   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.5527    1.0977   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.9560    3.7533   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.6406    3.7533   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.3541    4.5205   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2425    4.5205   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 01  0  1  0  0
  2  4 02  0  1  0  0
  2  5 01  0  2  0  0
  3  6 02  0  2  0  0
  3  7 01  0  1  0  0
  4  8 01  0  1  0  0
  5  9 01  0  1  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
 10 12 02  0  1  0  0
 10 13  1  0  0  0  0
  5  6 01  0  1  0  0
  8  9 02  0  1  0  0
 11 12 01  0  1  0  0
M  END

2D Structure

Tricyclazole

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Chemical Name - Tricyclazole
Mol Weight - 189.242
Smiles - Cc1cccc(s2)c1n1c2nnc1

Property Name	Property Value
Mol Name	Tricyclazole
Molweight	189.242
Monoisotopic Mass	189.036067
Clogp	1.8635
Clogs	-2.08
H Acceptors	3
Total Surface Area	138.83
Relative Psa	0.36195
Polar Surface Area	58.43
Druglikeness	2.269
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.53846
Molecular Complexity	0.80343
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	12
Sp3 Atoms	1
Aromatic Nitrogens	3
Smiles	Cc1cccc(s2)c1n1c2nnc1
InChIKey	InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
InChI	DQJCHOQLCLEDLL-UHFFFAOYSA-N

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