(6Z)-6-[(2-cyanoacetyl)hydrazinylidene]-2,3,4,5-tetrahydroxyhexanoic acid
Formula:C9H13N3O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[(2-cyanoacetyl)hydrazinylidene]-2,3,4,5-tetrahydroxyhexanoic acid is not a drug-like molecule.
| MolName | (6Z)-6-[(2-cyanoacetyl)hydrazinylidene]-2,3,4,5-tetrahydroxyhexanoic acid |
| MolecularFormula | C9H13N3O7 |
| Smiles | N#CCC(N/N=C\C(C(C(C(C(O)=O)O)O)O)O)=O |
| InChI | InChI=1S/C9H13N3O7/c10-2-1-5(14)12-11-3-4(13)6(15)7(16)8(17)9(18)19/h3-4,6-8,13,15-17H,1H2,(H,12,14)(H,18,19) |
| InChIK | UUBKBVYLJKSEEO-UHFFFAOYSA-N |
| TotalMolweight | 275.216 |
| Molweight | 275.216 |
| MonoisotopicMass | 275.075352 |
| CLogP | -3.8428 |
| CLogS | -0.68 |
| H Acceptors | 10 |
| H Donors | 6 |
| TotalSurfaceArea | 202.44 |
| Relative PSA | 0.63283 |
| PolarSurfaceArea | 183.47 |
| Druglikeness | -1.2976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 4 |
| Rotatable Bond | 7 |
| Sp3Atoms | 10 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (6Z)-6-[(2-cyanoacetyl)hydrazinylidene]-2,3,4,5-tetrahydroxyhexanoic acid | 2 - (6Z)-6-[(2-cyanoacetyl)hydrazinylidene]-2,3,4,5-tetrahydroxyhexanoic acid
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