N-[(Z)-anthracen-9-ylmethylideneamino]-2-naphthalen-1-ylacetamide
Formula:C27H20N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C27H20N2O |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C27H20N2O/c30-27(17-22-12-7-11-19-8-1-4-13-23(19)22)29-28-18-26-24-14-5-2-9-20(24)16-21-10-3-6-15-25(21)26/h1-16,18H,17H2,(H,29,30) |
| InChIK | KNCSJZSLIZEWPJ-UHFFFAOYSA-N |
| TotalMolweight | 388.469 |
| Molweight | 388.469 |
| MonoisotopicMass | 388.157563 |
| CLogP | 6.7829 |
| CLogS | -8.504 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 304.55 |
| Relative PSA | 0.11824 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.3705 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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