(2E,3Z)-1-(furan-2-yl)-3-hydrazinylidene-2-(phenylhydrazinylidene)propan-1-one
Formula:C13H12N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2E,3Z)-1-(furan-2-yl)-3-hydrazinylidene-2-(phenylhydrazinylidene)propan-1-one is a drug-like molecule.
| MolName | (2E,3Z)-1-(furan-2-yl)-3-hydrazinylidene-2-(phenylhydrazinylidene)propan-1-one |
| MolecularFormula | C13H12N4O2 |
| Smiles | N/N=C\C(\C(c1ccco1)=O)=N/Nc1ccccc1 |
| InChI | InChI=1S/C13H12N4O2/c14-15-9-11(13(18)12-7-4-8-19-12)17-16-10-5-2-1-3-6-10/h1-9,16H,14H2 |
| InChIK | TUWWSHHKZIVRDV-UHFFFAOYSA-N |
| TotalMolweight | 256.264 |
| Molweight | 256.264 |
| MonoisotopicMass | 256.096026 |
| CLogP | 2.2038 |
| CLogS | -3.274 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 208.17 |
| Relative PSA | 0.36941 |
| PolarSurfaceArea | 92.98 |
| Druglikeness | 1.2305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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