(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acenaphthylen-1-one
Formula:C18H9N2OCl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acenaphthylen-1-one is not a drug-like molecule.
| MolName | (2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acenaphthylen-1-one |
| MolecularFormula | C18H9N2OCl3 |
| Smiles | O=C(c1c(c2ccc3)c3ccc1)/C2=N/Nc(c(Cl)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H9Cl3N2O/c19-10-7-13(20)17(14(21)8-10)23-22-16-11-5-1-3-9-4-2-6-12(15(9)11)18(16)24/h1-8,23H |
| InChIK | JCKZSXUXIGDZLG-UHFFFAOYSA-N |
| TotalMolweight | 375.641 |
| Molweight | 375.641 |
| MonoisotopicMass | 373.978044 |
| CLogP | 7.2912 |
| CLogS | -7.553 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 252.56 |
| Relative PSA | 0.14258 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.3255 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 3 |
| StereoCon |
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