(5E)-5-[benzyl(phenyl)hydrazinylidene]furan-2-one
Formula:C17H14N2O2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(5E)-5-[benzyl(phenyl)hydrazinylidene]furan-2-one is a drug-like molecule.
| MolName | (5E)-5-[benzyl(phenyl)hydrazinylidene]furan-2-one |
| MolecularFormula | C17H14N2O2 |
| Smiles | O=C(C=C1)O/C1=N/N(Cc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C17H14N2O2/c20-17-12-11-16(21-17)18-19(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-12H,13H2 |
| InChIK | LQTOHCQFSXKKDJ-UHFFFAOYSA-N |
| TotalMolweight | 278.31 |
| Molweight | 278.31 |
| MonoisotopicMass | 278.105528 |
| CLogP | 2.5171 |
| CLogS | -3.089 |
| H Acceptors | 4 |
| TotalSurfaceArea | 220.8 |
| Relative PSA | 0.17255 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | -1.297 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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