[(Z)-(6-hydroxy-4-oxochromen-3-yl)methylideneamino]urea
Formula:C11H9N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(6-hydroxy-4-oxochromen-3-yl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(6-hydroxy-4-oxochromen-3-yl)methylideneamino]urea |
| MolecularFormula | C11H9N3O4 |
| Smiles | NC(N/N=C\C1=COc(ccc(O)c2)c2C1=O)=O |
| InChI | InChI=1S/C11H9N3O4/c12-11(17)14-13-4-6-5-18-9-2-1-7(15)3-8(9)10(6)16/h1-5,15H,(H3,12,14,17) |
| InChIK | CETIJPIMOIQYIS-UHFFFAOYSA-N |
| TotalMolweight | 247.209 |
| Molweight | 247.209 |
| MonoisotopicMass | 247.059307 |
| CLogP | -0.093 |
| CLogS | -3.068 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 181.06 |
| Relative PSA | 0.48282 |
| PolarSurfaceArea | 114.01 |
| Druglikeness | 4.8632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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