N'-[(Z)-anthracen-9-ylmethylideneamino]-N-phenyloxamide
Formula:C23H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-phenyloxamide is a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-phenyloxamide |
| MolecularFormula | C23H17N3O2 |
| Smiles | O=C(C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)Nc1ccccc1 |
| InChI | InChI=1S/C23H17N3O2/c27-22(25-18-10-2-1-3-11-18)23(28)26-24-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15H,(H,25,27)(H,26,28) |
| InChIK | KPZOUYNXQNIIIH-UHFFFAOYSA-N |
| TotalMolweight | 367.407 |
| Molweight | 367.407 |
| MonoisotopicMass | 367.132077 |
| CLogP | 4.5327 |
| CLogS | -6.737 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 285.4 |
| Relative PSA | 0.21202 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.7478 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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