N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C24H17N2OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C24H17N2OF3 |
| Smiles | O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H17F3N2O/c25-24(26,27)19-9-5-6-16(12-19)13-23(30)29-28-15-22-20-10-3-1-7-17(20)14-18-8-2-4-11-21(18)22/h1-12,14-15H,13H2,(H,29,30) |
| InChIK | DNEBRPWDGHHAPC-UHFFFAOYSA-N |
| TotalMolweight | 406.406 |
| Molweight | 406.406 |
| MonoisotopicMass | 406.129297 |
| CLogP | 6.4368 |
| CLogS | -7.676 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 299.41 |
| Relative PSA | 0.12027 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -2.8195 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off