(2E,3E)-2,3-bis(phenylhydrazinylidene)inden-1-one
Formula:C21H16N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2E,3E)-2,3-bis(phenylhydrazinylidene)inden-1-one is not a drug-like molecule.
| MolName | (2E,3E)-2,3-bis(phenylhydrazinylidene)inden-1-one |
| MolecularFormula | C21H16N4O |
| Smiles | O=C(c(cccc1)c1/C1=N\Nc2ccccc2)/C1=N/Nc1ccccc1 |
| InChI | InChI=1S/C21H16N4O/c26-21-18-14-8-7-13-17(18)19(24-22-15-9-3-1-4-10-15)20(21)25-23-16-11-5-2-6-12-16/h1-14,22-23H |
| InChIK | AGNWGNAMWVNYNT-UHFFFAOYSA-N |
| TotalMolweight | 340.385 |
| Molweight | 340.385 |
| MonoisotopicMass | 340.132411 |
| CLogP | 7.1604 |
| CLogS | -4.87 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 265.89 |
| Relative PSA | 0.22182 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 2.2903 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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