Chem 34 Bipyridine 35 Dicarboxylicacid Dsrpl

Compound 359
  CheckMol                        TMF02:r0:m0
MF=C12H10N2O4 MW=246.22
 18 19  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0117   -1.4770   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129   -2.2155   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -2.2155   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2543   -3.6926   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438   -1.4536   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320   -4.4193   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8215   -2.1921   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8098   -3.6691   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0992   -2.9306   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0992   -1.4419   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -4.4076   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.5645   -1.8756   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0875    0.0586   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3770   -2.2155   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3653   -5.1461   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.6547   -2.9072   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.6430   -4.3959   -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  1  0  1  0  0
  4  6  2  0  1  0  0
  5  7  2  0  1  0  0
  6  8  1  0  1  0  0
  7  9  1  0  1  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12 02  0  1  0  0
 10 13 01  0  1  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16 01  0  1  0  0
 13 17 02  0  1  0  0
 16 18 02  0  1  0  0
  8  9  1  0  1  0  0
 17 18 01  0  1  0  0
M  END

[3,4-Bipyridine]-3,5-dicarboxylicacid

₹ 0.00 0.00

Chemical Name - [3,4-Bipyridine]-3,5-dicarboxylicacid
Mol Weight - 246.221
Smiles - OC(C(CN=C1)(C=C1C(O)=O)c1ccncc1)=O

Property Name	Property Value
Mol Name	[3,4-Bipyridine]-3,5-dicarboxylicacid
Molweight	246.221
Monoisotopic Mass	246.064058
Clogp	-1.0708
Clogs	-0.977
H Acceptors	6
H Donors	2
Total Surface Area	180.36
Relative Psa	0.4145
Polar Surface Area	99.85
Druglikeness	2.4707
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.50549
Molecular Complexity	0.76657
Fragments	1
Non H Atoms	18
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	1
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	2
Aromatic Nitrogens	1
Basic Nitrogens	1
Acidic Oxygens	2
Smiles	OC(C(CN=C1)(C=C1C(O)=O)c1ccncc1)=O
InChIKey	InChI=1S/C12H10N2O4/c15-10(16)8-5-12(11(17)18,7-14-6-8)9-1-3-13-4-2-9/h1-6H,7H2,(H,15,16)(H,17,18)
InChI	FNDRKGZEYMOVEU-UHFFFAOYSA-N

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[3,4-Bipyridine]-3,5-dicarboxylicacid