N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]pyridine-4-carboxamide
Formula:C12H17N3O6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C12H17N3O6 |
| Smiles | OCC(C(C(C(/C=N/NC(c1ccncc1)=O)O)O)O)O |
| InChI | InChI=1S/C12H17N3O6/c16-6-9(18)11(20)10(19)8(17)5-14-15-12(21)7-1-3-13-4-2-7/h1-5,8-11,16-20H,6H2,(H,15,21) |
| InChIK | OQAVOTYRCZUZIX-UHFFFAOYSA-N |
| TotalMolweight | 299.282 |
| Molweight | 299.282 |
| MonoisotopicMass | 299.111737 |
| CLogP | -2.7503 |
| CLogS | -0.655 |
| H Acceptors | 9 |
| H Donors | 6 |
| TotalSurfaceArea | 221.5 |
| Relative PSA | 0.50781 |
| PolarSurfaceArea | 155.5 |
| Druglikeness | 4.6771 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]pyridine-4-carboxamide | 2 - N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off