[(E)-[phenyl(pyridin-2-yl)methylidene]amino] pyridine-3-carboxylate
Formula:C18H13N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] pyridine-3-carboxylate is a drug-like molecule.
| MolName | [(E)-[phenyl(pyridin-2-yl)methylidene]amino] pyridine-3-carboxylate |
| MolecularFormula | C18H13N3O2 |
| Smiles | O=C(c1cnccc1)O/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C18H13N3O2/c22-18(15-9-6-11-19-13-15)23-21-17(14-7-2-1-3-8-14)16-10-4-5-12-20-16/h1-13H |
| InChIK | MPLVVISSTSJYLY-UHFFFAOYSA-N |
| TotalMolweight | 303.32 |
| Molweight | 303.32 |
| MonoisotopicMass | 303.100777 |
| CLogP | 3.167 |
| CLogS | -3.981 |
| H Acceptors | 5 |
| TotalSurfaceArea | 241.02 |
| Relative PSA | 0.23438 |
| PolarSurfaceArea | 64.44 |
| Druglikeness | -2.5851 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[phenyl(pyridin-2-yl)methylidene]amino] pyridine-3-carboxylate | 2 - [(E)-[phenyl(pyridin-2-yl)methylidene]amino] pyridine-3-carboxylate
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