Chem 3 Chloroquinoxalin 21h One Dsrpl

Compound 176
  CheckMol                        TMF02:r0:m0
MF=C8H5ClN2O MW=180.59
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -0.7311   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3207   -2.2170   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6179    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6297   -2.9599   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6297    1.5330   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9269   -0.7075   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9387   -2.1934   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6415   -4.4457   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2476   -2.9245   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9504   -5.1769   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2594   -4.4104   -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  2  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  2  0  0
  5  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 02  0  1  0  0
 10 12 02  0  1  0  0
  7  8 01  0  1  0  0
 11 12 01  0  1  0  0
M  END

3-chloroquinoxalin-2(1H)-one

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Chemical Name - 3-chloroquinoxalin-2(1H)-one
Mol Weight - 180.594
Smiles - O=C1Nc(cccc2)c2N=C1Cl

Property Name	Property Value
Mol Name	3-chloroquinoxalin-2(1H)-one
Molweight	180.594
Monoisotopic Mass	180.00904
Clogp	0.1243
Clogs	-1.641
H Acceptors	3
H Donors	1
Total Surface Area	127.36
Relative Psa	0.28274
Polar Surface Area	41.46
Druglikeness	0.66349
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.16801
Molecular Complexity	0.72824
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Amides	1
Smiles	O=C1Nc(cccc2)c2N=C1Cl
InChIKey	InChI=1S/C8H5ClN2O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H,(H,11,12)
InChI	LTHQFFWUHBKRGG-UHFFFAOYSA-N

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1 - 3-chloroquinoxalin-2(1H)-one
2 - 3-chloroquinoxalin-2(1H)-one

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3-chloroquinoxalin-2(1H)-one