[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]thiourea
Formula:C7H15N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]thiourea is not a drug-like molecule.
| MolName | [(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]thiourea |
| MolecularFormula | C7H15N3O5S |
| Smiles | NC(N/N=C\C(C(C(C(CO)O)O)O)O)=S |
| InChI | InChI=1S/C7H15N3O5S/c8-7(16)10-9-1-3(12)5(14)6(15)4(13)2-11/h1,3-6,11-15H,2H2,(H3,8,10,16) |
| InChIK | OMQATPITDSAIFV-UHFFFAOYSA-N |
| TotalMolweight | 253.278 |
| Molweight | 253.278 |
| MonoisotopicMass | 253.073242 |
| CLogP | -3.419 |
| CLogS | -0.627 |
| H Acceptors | 8 |
| H Donors | 7 |
| TotalSurfaceArea | 186.46 |
| Relative PSA | 0.70653 |
| PolarSurfaceArea | 183.65 |
| Druglikeness | 2.842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 4 |
| Rotatable Bond | 6 |
| Sp3Atoms | 11 |
| StereoCon | unknown chirality |
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1 - [(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]thiourea | 2 - [(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]thiourea
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