N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
Formula:C21H16N3O2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide |
| MolecularFormula | C21H16N3O2F3 |
| Smiles | O=C(CC(N/N=C\c1cccc2ccccc12)=O)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C21H16F3N3O2/c22-21(23,24)16-8-4-9-17(11-16)26-19(28)12-20(29)27-25-13-15-7-3-6-14-5-1-2-10-18(14)15/h1-11,13H,12H2,(H,26,28)(H,27,29) |
| InChIK | VJVBJMBYZCUSDJ-UHFFFAOYSA-N |
| TotalMolweight | 399.371 |
| Molweight | 399.371 |
| MonoisotopicMass | 399.119461 |
| CLogP | 4.641 |
| CLogS | -6.179 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 294.02 |
| Relative PSA | 0.2058 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -5.1438 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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