N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide
Formula:C18H21N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide is a drug-like molecule.
| MolName | N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide |
| MolecularFormula | C18H21N3O3 |
| Smiles | O=C(CCCCCNC(c1ccccc1)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C18H21N3O3/c22-17(21-20-14-16-10-7-13-24-16)11-5-2-6-12-19-18(23)15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,19,23)(H,21,22) |
| InChIK | WVGXCTPLWQLIKY-UHFFFAOYSA-N |
| TotalMolweight | 327.383 |
| Molweight | 327.383 |
| MonoisotopicMass | 327.158292 |
| CLogP | 3.2916 |
| CLogS | -4.25 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 274.69 |
| Relative PSA | 0.27165 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | -4.4325 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide | 2 - N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide
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