2-hydroxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide
Formula:C17H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide |
| MolecularFormula | C17H12N2O4 |
| Smiles | Oc(cccc1)c1C(N/N=C\C1=COc(cccc2)c2C1=O)=O |
| InChI | InChI=1S/C17H12N2O4/c20-14-7-3-1-5-12(14)17(22)19-18-9-11-10-23-15-8-4-2-6-13(15)16(11)21/h1-10,20H,(H,19,22) |
| InChIK | WAFYGXXLTQAURQ-UHFFFAOYSA-N |
| TotalMolweight | 308.292 |
| Molweight | 308.292 |
| MonoisotopicMass | 308.079708 |
| CLogP | 1.9733 |
| CLogS | -3.975 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 232.3 |
| Relative PSA | 0.31059 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.9171 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-hydroxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide | 2 - 2-hydroxy-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide
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