(2Z)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydrazinylidene-2-phenylethanone
Formula:C20H16N2O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(2Z)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydrazinylidene-2-phenylethanone is a drug-like molecule.
| MolName | (2Z)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydrazinylidene-2-phenylethanone |
| MolecularFormula | C20H16N2O |
| Smiles | N/N=C(\C(c1ccc(CC2)c3c2cccc13)=O)/c1ccccc1 |
| InChI | InChI=1S/C20H16N2O/c21-22-19(15-5-2-1-3-6-15)20(23)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12H,9-10,21H2 |
| InChIK | ZWVNJVYKXOPQHB-UHFFFAOYSA-N |
| TotalMolweight | 300.36 |
| Molweight | 300.36 |
| MonoisotopicMass | 300.126263 |
| CLogP | 3.7255 |
| CLogS | -6.227 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 230.88 |
| Relative PSA | 0.17247 |
| PolarSurfaceArea | 55.45 |
| Druglikeness | -2.3071 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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