[(E)-[amino(pyridin-3-yl)methylidene]amino] pyridine-4-carboxylate
Formula:C12H10N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-3-yl)methylidene]amino] pyridine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] pyridine-4-carboxylate |
| MolecularFormula | C12H10N4O2 |
| Smiles | N/C(/c1cnccc1)=N/OC(c1ccncc1)=O |
| InChI | InChI=1S/C12H10N4O2/c13-11(10-2-1-5-15-8-10)16-18-12(17)9-3-6-14-7-4-9/h1-8H,(H2,13,16) |
| InChIK | PRTPWPUUZOZGIT-UHFFFAOYSA-N |
| TotalMolweight | 242.237 |
| Molweight | 242.237 |
| MonoisotopicMass | 242.080376 |
| CLogP | 1.0703 |
| CLogS | -1.946 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 189.78 |
| Relative PSA | 0.37812 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | -2.754 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] pyridine-4-carboxylate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] pyridine-4-carboxylate
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