N-[(Z)-anthracen-9-ylmethylideneamino]-2-(2-fluorophenoxy)acetamide
Formula:C23H17N2O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(2-fluorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(2-fluorophenoxy)acetamide |
| MolecularFormula | C23H17N2O2F |
| Smiles | O=C(COc(cccc1)c1F)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H17FN2O2/c24-21-11-5-6-12-22(21)28-15-23(27)26-25-14-20-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)20/h1-14H,15H2,(H,26,27) |
| InChIK | TZKGFXFVSSIMEM-UHFFFAOYSA-N |
| TotalMolweight | 372.398 |
| Molweight | 372.398 |
| MonoisotopicMass | 372.127406 |
| CLogP | 5.2661 |
| CLogS | -7.027 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.3 |
| Relative PSA | 0.16071 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.8566 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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