(3E)-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
Formula:C9H9N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-N-(4-chlorophenyl)-3-hydroxyiminopropanamide is a drug-like molecule.
| MolName | (3E)-N-(4-chlorophenyl)-3-hydroxyiminopropanamide |
| MolecularFormula | C9H9N2O2Cl |
| Smiles | O/N=C/CC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C9H9ClN2O2/c10-7-1-3-8(4-2-7)12-9(13)5-6-11-14/h1-4,6,14H,5H2,(H,12,13) |
| InChIK | FBCWOYVABPCLIL-UHFFFAOYSA-N |
| TotalMolweight | 212.635 |
| Molweight | 212.635 |
| MonoisotopicMass | 212.035255 |
| CLogP | 1.9061 |
| CLogS | -3.047 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 162.76 |
| Relative PSA | 0.30173 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 1.4835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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