N-(5-chloro-2-cyanophenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
Formula:C16H10N3O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(5-chloro-2-cyanophenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-(5-chloro-2-cyanophenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C16H10N3O2Cl3 |
| Smiles | N#Cc(ccc(Cl)c1)c1NC(CO/N=C\c1cccc(Cl)c1Cl)=O |
| InChI | InChI=1S/C16H10Cl3N3O2/c17-12-5-4-10(7-20)14(6-12)22-15(23)9-24-21-8-11-2-1-3-13(18)16(11)19/h1-6,8H,9H2,(H,22,23) |
| InChIK | KJYQTWVZWCKXLG-UHFFFAOYSA-N |
| TotalMolweight | 382.633 |
| Molweight | 382.633 |
| MonoisotopicMass | 380.983858 |
| CLogP | 4.8636 |
| CLogS | -6.574 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.72 |
| Relative PSA | 0.21373 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -2.1084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(5-chloro-2-cyanophenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide | 2 - N-(5-chloro-2-cyanophenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
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