(E)-3-(furan-2-yl)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]prop-2-enamide
Formula:C14H13N3O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]prop-2-enamide |
| MolecularFormula | C14H13N3O3S |
| Smiles | O=C(CNC(/C=C/c1ccco1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H13N3O3S/c18-13(6-5-11-3-1-7-20-11)15-10-14(19)17-16-9-12-4-2-8-21-12/h1-9H,10H2,(H,15,18)(H,17,19) |
| InChIK | KZROMQUVZXGVHU-UHFFFAOYSA-N |
| TotalMolweight | 303.341 |
| Molweight | 303.341 |
| MonoisotopicMass | 303.067762 |
| CLogP | 1.6698 |
| CLogS | -3.55 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 242.09 |
| Relative PSA | 0.39233 |
| PolarSurfaceArea | 111.94 |
| Druglikeness | 5.1376 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]prop-2-enamide
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