(3E)-N-(3,4-dichlorophenyl)-3-hydroxyiminopropanamide
Formula:C9H8N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-N-(3,4-dichlorophenyl)-3-hydroxyiminopropanamide is a drug-like molecule.
| MolName | (3E)-N-(3,4-dichlorophenyl)-3-hydroxyiminopropanamide |
| MolecularFormula | C9H8N2O2Cl2 |
| Smiles | O/N=C/CC(Nc(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C9H8Cl2N2O2/c10-7-2-1-6(5-8(7)11)13-9(14)3-4-12-15/h1-2,4-5,15H,3H2,(H,13,14) |
| InChIK | LYFYCCVNZQBRJZ-UHFFFAOYSA-N |
| TotalMolweight | 247.081 |
| Molweight | 247.081 |
| MonoisotopicMass | 245.996282 |
| CLogP | 2.5121 |
| CLogS | -3.783 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 178.18 |
| Relative PSA | 0.27562 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 1.4835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-N-(3,4-dichlorophenyl)-3-hydroxyiminopropanamide | 2 - (3E)-N-(3,4-dichlorophenyl)-3-hydroxyiminopropanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off