3-[(2-chlorophenoxy)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide
Formula:C17H11N4O3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(2-chlorophenoxy)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide is a drug-like molecule.
| MolName | 3-[(2-chlorophenoxy)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide |
| MolecularFormula | C17H11N4O3Cl3 |
| Smiles | O=C(c1nc(COc(cccc2)c2Cl)no1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C17H11Cl3N4O3/c18-11-5-3-6-12(19)10(11)8-21-23-16(25)17-22-15(24-27-17)9-26-14-7-2-1-4-13(14)20/h1-8H,9H2,(H,23,25) |
| InChIK | ZGEDSOMIVBCUEH-UHFFFAOYSA-N |
| TotalMolweight | 425.658 |
| Molweight | 425.658 |
| MonoisotopicMass | 423.989672 |
| CLogP | 4.4333 |
| CLogS | -5.312 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.98 |
| Relative PSA | 0.26995 |
| PolarSurfaceArea | 89.61 |
| Druglikeness | 5.8048 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[(2-chlorophenoxy)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide | 2 - 3-[(2-chlorophenoxy)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide
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