N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide
Formula:C17H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide |
| MolecularFormula | C17H12N2O3 |
| Smiles | O=C(c1ccccc1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C17H12N2O3/c20-16-13(11-22-15-9-5-4-8-14(15)16)10-18-19-17(21)12-6-2-1-3-7-12/h1-11H,(H,19,21) |
| InChIK | KZWVAKKUDLOWKU-UHFFFAOYSA-N |
| TotalMolweight | 292.293 |
| Molweight | 292.293 |
| MonoisotopicMass | 292.084793 |
| CLogP | 2.319 |
| CLogS | -4.271 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 225.95 |
| Relative PSA | 0.26134 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.9217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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