N-(2,4-dichlorophenyl)-2-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxyacetamide
Formula:C14H12N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,4-dichlorophenyl)-2-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-(2,4-dichlorophenyl)-2-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxyacetamide |
| MolecularFormula | C14H12N4O3Cl2 |
| Smiles | O=C(CO/N=C1/c2nonc2CCC1)Nc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C14H12Cl2N4O3/c15-8-4-5-10(9(16)6-8)17-13(21)7-22-18-11-2-1-3-12-14(11)20-23-19-12/h4-6H,1-3,7H2,(H,17,21) |
| InChIK | RNLNCAAATRHSSD-UHFFFAOYSA-N |
| TotalMolweight | 355.18 |
| Molweight | 355.18 |
| MonoisotopicMass | 354.028645 |
| CLogP | 3.714 |
| CLogS | -4.305 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 254.79 |
| Relative PSA | 0.32207 |
| PolarSurfaceArea | 89.61 |
| Druglikeness | 0.25053 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-(2,4-dichlorophenyl)-2-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxyacetamide | 2 - N-(2,4-dichlorophenyl)-2-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxyacetamide
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