N-(4-chloro-3-nitrophenyl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide
Formula:C13H10N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chloro-3-nitrophenyl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-(4-chloro-3-nitrophenyl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide |
| MolecularFormula | C13H10N3O4ClS |
| Smiles | [O-][N+](c(cc(cc1)NC(CO/N=C\c2cccs2)=O)c1Cl)=O |
| InChI | InChI=1S/C13H10ClN3O4S/c14-11-4-3-9(6-12(11)17(19)20)16-13(18)8-21-15-7-10-2-1-5-22-10/h1-7H,8H2,(H,16,18) |
| InChIK | PWLNQMZAPCVCEL-UHFFFAOYSA-N |
| TotalMolweight | 339.758 |
| Molweight | 339.758 |
| MonoisotopicMass | 339.008054 |
| CLogP | 2.761 |
| CLogS | -4.799 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 245.78 |
| Relative PSA | 0.39381 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | -0.87615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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