N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
Formula:C19H12N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is a drug-like molecule.
| MolName | N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide |
| MolecularFormula | C19H12N2O2 |
| Smiles | O=C(c1ccccc1)N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O |
| InChI | InChI=1S/C19H12N2O2/c22-18-15-11-5-9-12-8-4-10-14(16(12)15)17(18)20-21-19(23)13-6-2-1-3-7-13/h1-11H,(H,21,23) |
| InChIK | IFAGINHHBAOWJA-UHFFFAOYSA-N |
| TotalMolweight | 300.316 |
| Molweight | 300.316 |
| MonoisotopicMass | 300.089878 |
| CLogP | 3.8339 |
| CLogS | -5.917 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 224.05 |
| Relative PSA | 0.21892 |
| PolarSurfaceArea | 58.53 |
| Druglikeness | 4.2011 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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