Chem Pyrazine 25 Dicarboxylicacid Dsrpl

Compound 154
  CheckMol                        TMF02:r0:m0
MF=C6H4N2O4 MW=168.11
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4976   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -2.2463   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -2.2463   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5791   -1.4738   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2717   -3.7439   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8746   -2.2107   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5672   -4.4808   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8627   -3.7082   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1582   -4.4451   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464   -5.9427   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4537   -3.6726   -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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8  9 01  0  1  0  0
M  END

pyrazine-2,5-dicarboxylicacid

₹ 0.00 0.00

Chemical Name - pyrazine-2,5-dicarboxylicacid
Mol Weight - 168.108
Smiles - OC(c(nc1)cnc1C(O)=O)=O

Property Name	Property Value
Mol Name	pyrazine-2,5-dicarboxylicacid
Molweight	168.108
Monoisotopic Mass	168.017108
Clogp	-1.264
Clogs	-0.1
H Acceptors	6
H Donors	2
Total Surface Area	118.98
Relative Psa	0.6238
Polar Surface Area	100.38
Druglikeness	-1.5746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.48392
Molecular Complexity	0.66172
Fragments	1
Non H Atoms	12
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	6
Aromatic Nitrogens	2
Acidic Oxygens	2
Smiles	OC(c(nc1)cnc1C(O)=O)=O
InChIKey	InChI=1S/C6H4N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
InChI	GMIOYJQLNFNGPR-UHFFFAOYSA-N

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pyrazine-2,5-dicarboxylicacid