N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C24H18N3OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C24H18N3OF3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H18F3N3O/c25-24(26,27)18-8-5-9-19(13-18)28-15-23(31)30-29-14-22-20-10-3-1-6-16(20)12-17-7-2-4-11-21(17)22/h1-14,28H,15H2,(H,30,31) |
| InChIK | AXGMTKJUINQAPI-UHFFFAOYSA-N |
| TotalMolweight | 421.421 |
| Molweight | 421.421 |
| MonoisotopicMass | 421.140196 |
| CLogP | 5.7306 |
| CLogS | -7.533 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 310.87 |
| Relative PSA | 0.1527 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -2.1599 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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