Chem 2 Mercapto 5 Methoxy Benzimidazole

Compound 40
  CheckMol                        TMF02:r0:m0
MF=C8H8N2OS MW=180.22
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5009    0.0117   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3921   -1.1843   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3921    1.2312   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8227   -0.7153   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8227    0.7856   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.1243   -1.4540   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.1243    1.5361   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.4258   -0.6918   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.4258    0.7974   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7274    1.5478   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0290    0.8091   -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 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5  6 02  0  2  0  0
  9 10 01  0  1  0  0
M  END

2-MERCAPTO 5 METHOXY BENZIMIDAZOLE

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Chemical Name - 2-MERCAPTO 5 METHOXY BENZIMIDAZOLE
Mol Weight - 180.231
Smiles - COc(cc1)cc([nH]2)c1nc2S

Property Name	Property Value
Mol Name	2-MERCAPTO 5 METHOXY BENZIMIDAZOLE
Molweight	180.231
Monoisotopic Mass	180.035733
Clogp	1.3723
Clogs	-2.72
H Acceptors	3
H Donors	1
Total Surface Area	134.31
Relative Psa	0.42864
Polar Surface Area	76.71
Druglikeness	-2.9196
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.18263
Molecular Complexity	0.72397
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	3
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	COc(cc1)cc([nH]2)c1nc2S
InChIKey

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2-MERCAPTO 5 METHOXY BENZIMIDAZOLE