N'-[(Z)-anthracen-9-ylmethylideneamino]-N-naphthalen-1-yloxamide
Formula:C27H19N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-naphthalen-1-yloxamide is not a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C27H19N3O2 |
| Smiles | O=C(C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C27H19N3O2/c31-26(29-25-15-7-11-18-8-1-6-14-23(18)25)27(32)30-28-17-24-21-12-4-2-9-19(21)16-20-10-3-5-13-22(20)24/h1-17H,(H,29,31)(H,30,32) |
| InChIK | HWYWBNGJFRHCPF-UHFFFAOYSA-N |
| TotalMolweight | 417.467 |
| Molweight | 417.467 |
| MonoisotopicMass | 417.147727 |
| CLogP | 5.7271 |
| CLogS | -8.343 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 320 |
| Relative PSA | 0.18909 |
| 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 | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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