N-[(Z)-(4-oxochromen-3-yl)methylideneamino]formamide
Formula:C11H8N2O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]formamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxochromen-3-yl)methylideneamino]formamide |
| MolecularFormula | C11H8N2O3 |
| Smiles | O=CN/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C11H8N2O3/c14-7-13-12-5-8-6-16-10-4-2-1-3-9(10)11(8)15/h1-7H,(H,13,14) |
| InChIK | BXYCZBDPIRIQFA-UHFFFAOYSA-N |
| TotalMolweight | 216.196 |
| Molweight | 216.196 |
| MonoisotopicMass | 216.053493 |
| CLogP | 0.5044 |
| CLogS | -3.27 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 167.98 |
| Relative PSA | 0.35153 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.8965 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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