2-anilino-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C20H16N3O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-anilino-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H16N3O2F3 |
| Smiles | O=C(CNc1ccccc1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 |
| InChI | InChI=1S/C20H16F3N3O2/c21-20(22,23)15-6-4-5-14(11-15)18-10-9-17(28-18)12-25-26-19(27)13-24-16-7-2-1-3-8-16/h1-12,24H,13H2,(H,26,27) |
| InChIK | RRIZXWGQVALDDB-UHFFFAOYSA-N |
| TotalMolweight | 387.36 |
| Molweight | 387.36 |
| MonoisotopicMass | 387.119461 |
| CLogP | 4.2807 |
| CLogS | -5.781 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.12 |
| Relative PSA | 0.21153 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | -0.17777 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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