(E)-3-(furan-2-yl)-N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
Formula:C20H17N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide |
| MolecularFormula | C20H17N3O3 |
| Smiles | O=C(CNC(/C=C/c1ccco1)=O)N/N=C\c1cc2ccccc2cc1 |
| InChI | InChI=1S/C20H17N3O3/c24-19(10-9-18-6-3-11-26-18)21-14-20(25)23-22-13-15-7-8-16-4-1-2-5-17(16)12-15/h1-13H,14H2,(H,21,24)(H,23,25) |
| InChIK | UOIFJVKEFOZWKM-UHFFFAOYSA-N |
| TotalMolweight | 347.373 |
| Molweight | 347.373 |
| MonoisotopicMass | 347.126992 |
| CLogP | 2.9976 |
| CLogS | -5.146 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 280.75 |
| Relative PSA | 0.26579 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.8884 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(furan-2-yl)-N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
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