N'-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide
Formula:C10H10N4O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N'-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide is a drug-like molecule.
| MolName | N'-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide |
| MolecularFormula | C10H10N4O3Cl2 |
| Smiles | N/C(/COc(ccc(Cl)c1)c1Cl)=N/NC(C(N)=O)=O |
| InChI | InChI=1S/C10H10Cl2N4O3/c11-5-1-2-7(6(12)3-5)19-4-8(13)15-16-10(18)9(14)17/h1-3H,4H2,(H2,13,15)(H2,14,17)(H,16,18) |
| InChIK | AGEBHQBZILLVMB-UHFFFAOYSA-N |
| TotalMolweight | 305.12 |
| Molweight | 305.12 |
| MonoisotopicMass | 304.012995 |
| CLogP | 0.0246 |
| CLogS | -3.119 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 214.83 |
| Relative PSA | 0.41703 |
| PolarSurfaceArea | 119.8 |
| Druglikeness | 0.91703 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; limit! oxal-diamide |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide | 2 - N'-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide
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