N-[(Z)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C14H12N3OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C14H12N3OF3S |
| Smiles | O=C(CNc1cc(C(F)(F)F)ccc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H12F3N3OS/c15-14(16,17)10-3-1-4-11(7-10)18-9-13(21)20-19-8-12-5-2-6-22-12/h1-8,18H,9H2,(H,20,21) |
| InChIK | VLJWATIDZXJRKY-UHFFFAOYSA-N |
| TotalMolweight | 327.329 |
| Molweight | 327.329 |
| MonoisotopicMass | 327.065316 |
| CLogP | 3.2084 |
| CLogS | -4.331 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 237.61 |
| Relative PSA | 0.28547 |
| PolarSurfaceArea | 81.73 |
| Druglikeness | -0.65581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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