2-cyano-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide
Formula:C13H9N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide |
| MolecularFormula | C13H9N3O3 |
| Smiles | N#CCC(N/N=C\C1=COc(cccc2)c2C1=O)=O |
| InChI | InChI=1S/C13H9N3O3/c14-6-5-12(17)16-15-7-9-8-19-11-4-2-1-3-10(11)13(9)18/h1-4,7-8H,5H2,(H,16,17) |
| InChIK | LFNUULBHKBKRLH-UHFFFAOYSA-N |
| TotalMolweight | 255.232 |
| Molweight | 255.232 |
| MonoisotopicMass | 255.064392 |
| CLogP | 0.5752 |
| CLogS | -3.519 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 201.66 |
| Relative PSA | 0.36006 |
| PolarSurfaceArea | 91.55 |
| Druglikeness | -2.3024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide
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