(3E)-3-amino-3-hydroxyimino-N-[3-(trifluoromethyl)phenyl]propanamide
Formula:C10H10N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-amino-3-hydroxyimino-N-[3-(trifluoromethyl)phenyl]propanamide is a drug-like molecule.
| MolName | (3E)-3-amino-3-hydroxyimino-N-[3-(trifluoromethyl)phenyl]propanamide |
| MolecularFormula | C10H10N3O2F3 |
| Smiles | N/C(/CC(Nc1cccc(C(F)(F)F)c1)=O)=N/O |
| InChI | InChI=1S/C10H10F3N3O2/c11-10(12,13)6-2-1-3-7(4-6)15-9(17)5-8(14)16-18/h1-4,18H,5H2,(H2,14,16)(H,15,17) |
| InChIK | KMKNVGMALYGOOC-UHFFFAOYSA-N |
| TotalMolweight | 261.202 |
| Molweight | 261.202 |
| MonoisotopicMass | 261.072511 |
| CLogP | 1.6133 |
| CLogS | -2.932 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 183.53 |
| Relative PSA | 0.35079 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | -6.4176 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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