N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide
Formula:C14H14N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide |
| MolecularFormula | C14H14N3O2 |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C14H13N3O2/c18-14(12-17-9-2-1-3-10-17)16-15-8-4-6-13-7-5-11-19-13/h1-11H,12H2/p+1 |
| InChIK | AOVCBTMHJAZEFQ-UHFFFAOYSA-O |
| TotalMolweight | 256.284 |
| Molweight | 256.284 |
| MonoisotopicMass | 256.108602 |
| CLogP | -3.0213 |
| CLogS | -2.03 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 214.24 |
| Relative PSA | 0.24683 |
| PolarSurfaceArea | 58.48 |
| Druglikeness | 3.9488 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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