(3E)-4-chloro-3-hydroxyimino-N-phenylbutanamide
Formula:C10H11N2O2Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(3E)-4-chloro-3-hydroxyimino-N-phenylbutanamide is a drug-like molecule.
| MolName | (3E)-4-chloro-3-hydroxyimino-N-phenylbutanamide |
| MolecularFormula | C10H11N2O2Cl |
| Smiles | O/N=C(\CC(Nc1ccccc1)=O)/CCl |
| InChI | InChI=1S/C10H11ClN2O2/c11-7-9(13-15)6-10(14)12-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H,12,14) |
| InChIK | GLDBCSOGUWBXMK-UHFFFAOYSA-N |
| TotalMolweight | 226.662 |
| Molweight | 226.662 |
| MonoisotopicMass | 226.050905 |
| CLogP | 2.0698 |
| CLogS | -2.926 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 174.73 |
| Relative PSA | 0.28106 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 1.2625 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-4-chloro-3-hydroxyimino-N-phenylbutanamide | 2 - (3E)-4-chloro-3-hydroxyimino-N-phenylbutanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off