(2E)-3-amino-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
Formula:C9H10N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-3-amino-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-amino-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C9H10N4OS |
| Smiles | NN(C(CS1)=O)/C1=N\Nc1ccccc1 |
| InChI | InChI=1S/C9H10N4OS/c10-13-8(14)6-15-9(13)12-11-7-4-2-1-3-5-7/h1-5,11H,6,10H2 |
| InChIK | KXZUIVOCVYJEOJ-UHFFFAOYSA-N |
| TotalMolweight | 222.271 |
| Molweight | 222.271 |
| MonoisotopicMass | 222.057531 |
| CLogP | 1.3162 |
| CLogS | -2.384 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 162.01 |
| Relative PSA | 0.44639 |
| PolarSurfaceArea | 96.02 |
| Druglikeness | 1.1079 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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