N-(3,4-dichlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide
Formula:C18H11N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide |
| MolecularFormula | C18H11N3O4Cl2 |
| Smiles | O=C(C(N/N=C\C1=COc(cccc2)c2C1=O)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C18H11Cl2N3O4/c19-13-6-5-11(7-14(13)20)22-17(25)18(26)23-21-8-10-9-27-15-4-2-1-3-12(15)16(10)24/h1-9H,(H,22,25)(H,23,26) |
| InChIK | PCWKJHAEMTVQMB-UHFFFAOYSA-N |
| TotalMolweight | 404.208 |
| Molweight | 404.208 |
| MonoisotopicMass | 403.012661 |
| CLogP | 2.4733 |
| CLogS | -5.547 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 286 |
| Relative PSA | 0.29213 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 4.2528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - N-(3,4-dichlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide | 2 - N-(3,4-dichlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide
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