(5Z)-5-(7H-purin-6-ylhydrazinylidene)pentane-1,2,3,4-tetrol
Formula:C10H14N6O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(5Z)-5-(7H-purin-6-ylhydrazinylidene)pentane-1,2,3,4-tetrol is not a drug-like molecule.
| MolName | (5Z)-5-(7H-purin-6-ylhydrazinylidene)pentane-1,2,3,4-tetrol |
| MolecularFormula | C10H14N6O4 |
| Smiles | OCC(C(C(/C=N\Nc1ncnc2c1[nH]cn2)O)O)O |
| InChI | InChI=1S/C10H14N6O4/c17-2-6(19)8(20)5(18)1-15-16-10-7-9(12-3-11-7)13-4-14-10/h1,3-6,8,17-20H,2H2,(H2,11,12,13,14,16) |
| InChIK | HNXUSARUYCQBAW-UHFFFAOYSA-N |
| TotalMolweight | 282.259 |
| Molweight | 282.259 |
| MonoisotopicMass | 282.107654 |
| CLogP | -0.872 |
| CLogS | -1.584 |
| H Acceptors | 10 |
| H Donors | 6 |
| TotalSurfaceArea | 206.59 |
| Relative PSA | 0.59185 |
| PolarSurfaceArea | 159.77 |
| Druglikeness | 2.7226 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 8 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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