N-[(Z)-anthracen-9-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Formula:C23H16N3O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide |
| MolecularFormula | C23H16N3O2F3 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H16F3N3O2/c24-23(25,26)17-9-10-22(31)29(13-17)14-21(30)28-27-12-20-18-7-3-1-5-15(18)11-16-6-2-4-8-19(16)20/h1-13H,14H2,(H,28,30) |
| InChIK | NZKBPQYTWDVOCA-UHFFFAOYSA-N |
| TotalMolweight | 423.393 |
| Molweight | 423.393 |
| MonoisotopicMass | 423.119461 |
| CLogP | 4.3885 |
| CLogS | -6.684 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.41 |
| Relative PSA | 0.17223 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | -1.8024 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
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