(3E)-3-amino-N-(3-chloro-4-fluorophenyl)-3-hydroxyiminopropanamide
Formula:C9H9N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-amino-N-(3-chloro-4-fluorophenyl)-3-hydroxyiminopropanamide is a drug-like molecule.
| MolName | (3E)-3-amino-N-(3-chloro-4-fluorophenyl)-3-hydroxyiminopropanamide |
| MolecularFormula | C9H9N3O2ClF |
| Smiles | N/C(/CC(Nc(cc1)cc(Cl)c1F)=O)=N/O |
| InChI | InChI=1S/C9H9ClFN3O2/c10-6-3-5(1-2-7(6)11)13-9(15)4-8(12)14-16/h1-3,16H,4H2,(H2,12,14)(H,13,15) |
| InChIK | QIDIRJFTYVAHOJ-UHFFFAOYSA-N |
| TotalMolweight | 245.64 |
| Molweight | 245.64 |
| MonoisotopicMass | 245.036732 |
| CLogP | 1.4718 |
| CLogS | -3.204 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 175.84 |
| Relative PSA | 0.36613 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | -0.47241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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