Chem 23 Dihydroxy Quinoxaline 6 Carboxylic Acid Sajjan

Compound 40
  CheckMol                        TMF02:r0:m0
MF=C9H6N2O4 MW=206.16
 15 16  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4968   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3305   -2.2453   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2830   -2.2453   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2711   -3.7421   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5779   -1.4731   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5660   -4.4905   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8728   -2.2215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5541   -5.9874   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8609   -3.7183   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8490   -6.7358   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1558   -4.4668   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8371   -8.2326   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1439   -5.9755   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4388   -6.7239   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  7 10 01  0  2  0  0
  9 11 01  0  1  0  0
 10 12 02  0  1  0  0
 11 13  1  0  0  0  0
 11 14 02  0  1  0  0
 14 15  1  0  0  0  0
  8 10 01  0  1  0  0
 12 14 01  0  1  0  0
M  END

2,3- Dihydroxy Quinoxaline- 6-Carboxylic Acid

₹ 0.00 0.00

Chemical Name - 2,3- Dihydroxy Quinoxaline- 6-Carboxylic Acid
Mol Weight - 206.157
Smiles - OC(c(ccc1n2)cc1nc(O)c2O)=O

Property Name	Property Value
Mol Name	2,3- Dihydroxy Quinoxaline- 6-Carboxylic Acid
Molweight	206.157
Monoisotopic Mass	206.032758
Clogp	0.2529
Clogs	-1.893
H Acceptors	6
H Donors	3
Total Surface Area	142.18
Relative Psa	0.52244
Polar Surface Area	103.54
Druglikeness	-1.5746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.6
Molecular Flexibility	0.22405
Molecular Complexity	0.75619
Fragments	1
Non H Atoms	15
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	3
Aromatic Nitrogens	2
Basic Nitrogens	2
Acidic Oxygens	1
Smiles	OC(c(ccc1n2)cc1nc(O)c2O)=O
InChIKey	InChI=1S/C9H6N2O4/c12-7-8(13)11-6-3-4(9(14)15)1-2-5(6)10-7/h1-3H,(H,10,12)(H,11,13)(H,14,15)
InChI	YGJDUUUPLPMKSN-UHFFFAOYSA-N

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2,3- Dihydroxy Quinoxaline- 6-Carboxylic Acid