Chem 4 Chlorotetrazolo15 Aquinoxaline Dsrpl

Compound 287
  CheckMol                        TMF02:r0:m0
MF=C8H4ClN5 MW=205.61
 14 16  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -0.7325   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6227    0.0236   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3232   -2.2210   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9341   -0.7088   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.2245   -3.2134   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6345   -2.9535   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9459   -2.1974   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2454    0.0591   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.8506   -4.5720   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3392   -4.4066   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2573   -2.9299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5568   -0.6734   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5686   -2.1620   -0.0000 C   0 00  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
  4  7 01  0  2  0  0
  5  8 02  0  2  0  0
  5  9 01  0  1  0  0
  6 10 01  0  1  0  0
  7 11 01  0  1  0  0
  8 12 01  0  1  0  0
  9 13 02  0  1  0  0
 12 14 02  0  1  0  0
  7  8 01  0  1  0  0
 10 11 02  0  1  0  0
 13 14 01  0  1  0  0
M  END

4-chlorotetrazolo[1,5-a]quinoxaline

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Chemical Name - 4-chlorotetrazolo[1,5-a]quinoxaline
Mol Weight - 205.608
Smiles - Clc1nc(cccc2)c2n2nnnc12

Property Name	Property Value
Mol Name	4-chlorotetrazolo[1,5-a]quinoxaline
Molweight	205.608
Monoisotopic Mass	205.015522
Clogp	0.9963
Clogs	-3.311
H Acceptors	5
Total Surface Area	143.57
Relative Psa	0.36101
Polar Surface Area	55.97
Druglikeness	0.24921
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Complexity	0.80343
Fragments	1
Non H Atoms	14
Non Ch Atoms	6
Electronegative Atoms	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	13
Aromatic Nitrogens	5
Smiles	Clc1nc(cccc2)c2n2nnnc12
InChIKey	InChI=1S/C8H4ClN5/c9-7-8-11-12-13-14(8)6-4-2-1-3-5(6)10-7/h1-4H
InChI	KOWYBYDSUFDMGG-UHFFFAOYSA-N

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4-chlorotetrazolo[1,5-a]quinoxaline