(NZ)-N-[1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethylidene]hydroxylamine
Formula:C20H17NO
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-[1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-[1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethylidene]hydroxylamine |
| MolecularFormula | C20H17NO |
| Smiles | O/N=C(/Cc1ccccc1)\c1ccc(CC2)c3c2cccc13 |
| InChI | InChI=1S/C20H17NO/c22-21-19(13-14-5-2-1-3-6-14)17-12-11-16-10-9-15-7-4-8-18(17)20(15)16/h1-8,11-12,22H,9-10,13H2 |
| InChIK | LFGAYBBTUPVXGG-UHFFFAOYSA-N |
| TotalMolweight | 287.361 |
| Molweight | 287.361 |
| MonoisotopicMass | 287.131014 |
| CLogP | 5.2613 |
| CLogS | -5.968 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 224.72 |
| Relative PSA | 0.10951 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -2.2112 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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