(3E)-3-amino-3-hydroxyimino-N-(2,3,4-trifluorophenyl)propanamide
Formula:C9H8N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-amino-3-hydroxyimino-N-(2,3,4-trifluorophenyl)propanamide is a drug-like molecule.
| MolName | (3E)-3-amino-3-hydroxyimino-N-(2,3,4-trifluorophenyl)propanamide |
| MolecularFormula | C9H8N3O2F3 |
| Smiles | N/C(/CC(Nc(c(F)c1F)ccc1F)=O)=N/O |
| InChI | InChI=1S/C9H8F3N3O2/c10-4-1-2-5(9(12)8(4)11)14-7(16)3-6(13)15-17/h1-2,17H,3H2,(H2,13,15)(H,14,16) |
| InChIK | BSQVTQROWMQFOU-UHFFFAOYSA-N |
| TotalMolweight | 247.176 |
| Molweight | 247.176 |
| MonoisotopicMass | 247.056861 |
| CLogP | 1.0674 |
| CLogS | -3.096 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 173.12 |
| Relative PSA | 0.37188 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | -0.56762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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