N-[(Z)-anthracen-9-ylmethylideneamino]-3-(trifluoromethyl)benzamide
Formula:C23H15N2OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C23H15N2OF3 |
| Smiles | O=C(c1cccc(C(F)(F)F)c1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H15F3N2O/c24-23(25,26)18-9-5-8-17(13-18)22(29)28-27-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H,(H,28,29) |
| InChIK | YTAOZIZKQNVAAS-UHFFFAOYSA-N |
| TotalMolweight | 392.379 |
| Molweight | 392.379 |
| MonoisotopicMass | 392.113647 |
| CLogP | 6.4387 |
| CLogS | -7.711 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 285.65 |
| Relative PSA | 0.12606 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -2.7213 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| StereoCon |
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