1-amino-2-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione
Formula:C21H15N3O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
1-amino-2-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione is not a drug-like molecule.
| MolName | 1-amino-2-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione |
| MolecularFormula | C21H15N3O2 |
| Smiles | Nc(c(/C=N\Nc1ccccc1)ccc1C(c2c3cccc2)=O)c1C3=O |
| InChI | InChI=1S/C21H15N3O2/c22-19-13(12-23-24-14-6-2-1-3-7-14)10-11-17-18(19)21(26)16-9-5-4-8-15(16)20(17)25/h1-12,24H,22H2 |
| InChIK | VKNSMHMXJVVXOI-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 5.5374 |
| CLogS | -6.339 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 259.52 |
| Relative PSA | 0.24784 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | 2.4525 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 1-amino-2-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione | 2 - 1-amino-2-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione
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