N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C18H16N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C18H16N3OF3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H16F3N3O/c19-18(20,21)15-9-4-10-16(12-15)22-13-17(25)24-23-11-5-8-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,24,25) |
| InChIK | OSJYEZUBQIZAIP-UHFFFAOYSA-N |
| TotalMolweight | 347.339 |
| Molweight | 347.339 |
| MonoisotopicMass | 347.124546 |
| CLogP | 3.3601 |
| CLogS | -4.613 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 268.17 |
| Relative PSA | 0.17701 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -2.1432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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