[(E)-[phenyl(pyridin-4-yl)methylidene]amino] furan-2-carboxylate
Formula:C17H12N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] furan-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[phenyl(pyridin-4-yl)methylidene]amino] furan-2-carboxylate |
| MolecularFormula | C17H12N2O3 |
| Smiles | O=C(c1ccco1)O/N=C(\c1ccccc1)/c1ccncc1 |
| InChI | InChI=1S/C17H12N2O3/c20-17(15-7-4-12-21-15)22-19-16(13-5-2-1-3-6-13)14-8-10-18-11-9-14/h1-12H |
| InChIK | IZIGLOFIUDJYTA-UHFFFAOYSA-N |
| TotalMolweight | 292.293 |
| Molweight | 292.293 |
| MonoisotopicMass | 292.084793 |
| CLogP | 3.3026 |
| CLogS | -4.434 |
| H Acceptors | 5 |
| TotalSurfaceArea | 231.95 |
| Relative PSA | 0.25708 |
| PolarSurfaceArea | 64.69 |
| Druglikeness | -1.9439 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[phenyl(pyridin-4-yl)methylidene]amino] furan-2-carboxylate | 2 - [(E)-[phenyl(pyridin-4-yl)methylidene]amino] furan-2-carboxylate
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