Chem 1h Indazole 56 Dicarboxylicacid Dsrpl

Compound 296
  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
    1.2909   -0.7343   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   -2.2265   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5818    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5699    1.5514   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8727   -0.6987   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2554    2.3094   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608    2.3094   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1636    0.0711   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2435    3.8253   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0592    1.5751   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    1.5751   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.5847   -0.3790   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.5729    2.0488   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.4611    0.8527   -0.0000 N   0 00  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  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12 02  0  1  0  0
  9 13 01  0  1  0  0
 12 14 01  0  1  0  0
 13 15 01  0  1  0  0
  9 12 01  0  2  0  0
 14 15 02  0  1  0  0
M  END

1H-indazole-5,6-dicarboxylicacid

₹ 0.00 0.00

Chemical Name - 1H-indazole-5,6-dicarboxylicacid
Mol Weight - 206.157
Smiles - OC(c(cc(cn[nH]1)c1c1)c1C(O)=O)=O

Property Name	Property Value
Mol Name	1H-indazole-5,6-dicarboxylicacid
Molweight	206.157
Monoisotopic Mass	206.032758
Clogp	-0.1597
Clogs	-1.716
H Acceptors	6
H Donors	3
Total Surface Area	144.39
Relative Psa	0.53494
Polar Surface Area	103.28
Druglikeness	1.861
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Shape Index	0.46667
Molecular Flexibility	0.35126
Molecular Complexity	0.78354
Fragments	1
Non H Atoms	15
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	2
Aromatic Nitrogens	2
Acidic Oxygens	2
Smiles	OC(c(cc(cn[nH]1)c1c1)c1C(O)=O)=O
InChIKey	InChI=1S/C9H6N2O4/c12-8(13)5-1-4-3-10-11-7(4)2-6(5)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChI	WQYVCEHZDBUDMB-UHFFFAOYSA-N

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1H-indazole-5,6-dicarboxylicacid