N-cyclopropyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
Formula:C12H11N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-cyclopropyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclopropyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C12H11N3O2Cl2 |
| Smiles | O=C(C(N/N=C\c(c(Cl)ccc1)c1Cl)=O)NC1CC1 |
| InChI | InChI=1S/C12H11Cl2N3O2/c13-9-2-1-3-10(14)8(9)6-15-17-12(19)11(18)16-7-4-5-7/h1-3,6-7H,4-5H2,(H,16,18)(H,17,19) |
| InChIK | FYCFALDRGDAPCH-UHFFFAOYSA-N |
| TotalMolweight | 300.144 |
| Molweight | 300.144 |
| MonoisotopicMass | 299.022831 |
| CLogP | 2.1769 |
| CLogS | -4.254 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 213.8 |
| Relative PSA | 0.28302 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.6033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-cyclopropyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide | 2 - N-cyclopropyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
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