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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1 — [3,4-Bipyridine]-3,5-dicarboxylicacid | 2 — [3,4-Bipyridine]-3,5-dicarboxylicacid