N-(4-chlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide
Formula:C18H12N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide |
| MolecularFormula | C18H12N3O4Cl |
| Smiles | O=C(C(N/N=C\C1=COc(cccc2)c2C1=O)=O)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C18H12ClN3O4/c19-12-5-7-13(8-6-12)21-17(24)18(25)22-20-9-11-10-26-15-4-2-1-3-14(15)16(11)23/h1-10H,(H,21,24)(H,22,25) |
| InChIK | TZQFUPHHWQAGQT-UHFFFAOYSA-N |
| TotalMolweight | 369.763 |
| Molweight | 369.763 |
| MonoisotopicMass | 369.051634 |
| CLogP | 1.8673 |
| CLogS | -4.811 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 270.58 |
| Relative PSA | 0.30878 |
| 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 | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide | 2 - N-(4-chlorophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide
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