(2Z)-2-hydrazinylidene-3-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxylate
Formula:C10H10N3O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-hydrazinylidene-3-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxylate is a drug-like molecule.
| MolName | (2Z)-2-hydrazinylidene-3-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxylate |
| MolecularFormula | C10H10N3O3S |
| Smiles | N/N=C1\Sc(cc(cc2)C([O-])=O)c2N1CCO |
| InChI | InChI=1S/C10H11N3O3S/c11-12-10-13(3-4-14)7-2-1-6(9(15)16)5-8(7)17-10/h1-2,5,14H,3-4,11H2,(H,15,16)/p-1 |
| InChIK | FXUISEUVKDQTSR-UHFFFAOYSA-M |
| TotalMolweight | 252.273 |
| Molweight | 252.273 |
| MonoisotopicMass | 252.044287 |
| CLogP | -2.1145 |
| CLogS | -3.252 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 178.19 |
| Relative PSA | 0.4952 |
| PolarSurfaceArea | 127.28 |
| Druglikeness | 0.56374 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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