N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C16H14N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C16H14N3O2F3 |
| Smiles | Oc1cccc(/C=N\NC(CNc2cccc(C(F)(F)F)c2)=O)c1 |
| InChI | InChI=1S/C16H14F3N3O2/c17-16(18,19)12-4-2-5-13(8-12)20-10-15(24)22-21-9-11-3-1-6-14(23)7-11/h1-9,20,23H,10H2,(H,22,24) |
| InChIK | IUEDELIQGAUGSA-UHFFFAOYSA-N |
| TotalMolweight | 337.3 |
| Molweight | 337.3 |
| MonoisotopicMass | 337.103811 |
| CLogP | 2.9961 |
| CLogS | -4.025 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 248.02 |
| Relative PSA | 0.24421 |
| PolarSurfaceArea | 73.72 |
| Druglikeness | -2.1905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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