2-phenoxy-N-[(Z)-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylideneamino]acetamide
Formula:C21H24N2O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenoxy-N-[(Z)-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-phenoxy-N-[(Z)-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylideneamino]acetamide |
| MolecularFormula | C21H24N2O8 |
| Smiles | OCC(C(C(C1O)O)O)OC1Oc1ccc(/C=N\NC(COc2ccccc2)=O)cc1 |
| InChI | InChI=1S/C21H24N2O8/c24-11-16-18(26)19(27)20(28)21(31-16)30-15-8-6-13(7-9-15)10-22-23-17(25)12-29-14-4-2-1-3-5-14/h1-10,16,18-21,24,26-28H,11-12H2,(H,23,25) |
| InChIK | NMQTXLJVOYYIFX-UHFFFAOYSA-N |
| TotalMolweight | 432.428 |
| Molweight | 432.428 |
| MonoisotopicMass | 432.153268 |
| CLogP | 0.4415 |
| CLogS | -3.091 |
| H Acceptors | 10 |
| H Donors | 5 |
| TotalSurfaceArea | 318.91 |
| Relative PSA | 0.3713 |
| PolarSurfaceArea | 150.07 |
| Druglikeness | -0.0042674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-phenoxy-N-[(Z)-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylideneamino]acetamide | 2 - 2-phenoxy-N-[(Z)-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylideneamino]acetamide
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