N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-phenylacetamide
Formula:C20H14N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-phenylacetamide |
| MolecularFormula | C20H14N2O2 |
| Smiles | O=C(Cc1ccccc1)N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O |
| InChI | InChI=1S/C20H14N2O2/c23-17(12-13-6-2-1-3-7-13)21-22-19-15-10-4-8-14-9-5-11-16(18(14)15)20(19)24/h1-11H,12H2,(H,21,23) |
| InChIK | AFFKCLZQIKEEIP-UHFFFAOYSA-N |
| TotalMolweight | 314.343 |
| Molweight | 314.343 |
| MonoisotopicMass | 314.105528 |
| CLogP | 3.832 |
| CLogS | -5.882 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.81 |
| Relative PSA | 0.20626 |
| PolarSurfaceArea | 58.53 |
| Druglikeness | 4.1662 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-phenylacetamide | 2 - N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-phenylacetamide
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