N-[(Z)-(6-fluoro-4-oxochromen-3-yl)methylideneamino]-3,4,5-trihydroxybenzamide
Formula:C17H11N2O6F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-fluoro-4-oxochromen-3-yl)methylideneamino]-3,4,5-trihydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-fluoro-4-oxochromen-3-yl)methylideneamino]-3,4,5-trihydroxybenzamide |
| MolecularFormula | C17H11N2O6F |
| Smiles | Oc1cc(C(N/N=C\C2=COc(ccc(F)c3)c3C2=O)=O)cc(O)c1O |
| InChI | InChI=1S/C17H11FN2O6/c18-10-1-2-14-11(5-10)15(23)9(7-26-14)6-19-20-17(25)8-3-12(21)16(24)13(22)4-8/h1-7,21-22,24H,(H,20,25) |
| InChIK | KYMPYTKLJSLGSL-UHFFFAOYSA-N |
| TotalMolweight | 358.28 |
| Molweight | 358.28 |
| MonoisotopicMass | 358.060116 |
| CLogP | 1.3827 |
| CLogS | -3.697 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 251.35 |
| Relative PSA | 0.39129 |
| PolarSurfaceArea | 128.45 |
| Druglikeness | 3.5771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - N-[(Z)-(6-fluoro-4-oxochromen-3-yl)methylideneamino]-3,4,5-trihydroxybenzamide | 2 - N-[(Z)-(6-fluoro-4-oxochromen-3-yl)methylideneamino]-3,4,5-trihydroxybenzamide
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