(5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol
Formula:C14H16N3O4ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol is a drug-like molecule.
| MolName | (5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol |
| MolecularFormula | C14H16N3O4ClS |
| Smiles | OCC(C(C(/C=N\Nc1nc(-c(cc2)ccc2Cl)cs1)O)O)O |
| InChI | InChI=1S/C14H16ClN3O4S/c15-9-3-1-8(2-4-9)10-7-23-14(17-10)18-16-5-11(20)13(22)12(21)6-19/h1-5,7,11-13,19-22H,6H2,(H,17,18) |
| InChIK | IDHRGTCAHGXMFL-UHFFFAOYSA-N |
| TotalMolweight | 357.817 |
| Molweight | 357.817 |
| MonoisotopicMass | 357.055004 |
| CLogP | 2.4388 |
| CLogS | -3.254 |
| H Acceptors | 7 |
| H Donors | 5 |
| TotalSurfaceArea | 256.02 |
| Relative PSA | 0.41676 |
| PolarSurfaceArea | 146.44 |
| Druglikeness | 4.0199 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - (5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol | 2 - (5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol
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