(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol
Formula:C10H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol is a drug-like molecule.
| MolName | (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol |
| MolecularFormula | C10H11N3O2S |
| Smiles | OCC(/C=N\Nc1nc(cccc2)c2s1)O |
| InChI | InChI=1S/C10H11N3O2S/c14-6-7(15)5-11-13-10-12-8-3-1-2-4-9(8)16-10/h1-5,7,14-15H,6H2,(H,12,13)/t7-/m1/s1 |
| InChIK | NDBAENCTDXZASY-SSDOTTSWSA-N |
| TotalMolweight | 237.282 |
| Molweight | 237.282 |
| MonoisotopicMass | 237.057197 |
| CLogP | 2.3945 |
| CLogS | -2.232 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 177.74 |
| Relative PSA | 0.45291 |
| PolarSurfaceArea | 105.98 |
| Druglikeness | 2.3154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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