(Z)-4-chloro-N-(1,3-thiazol-2-yl)dithiazol-5-imine
Formula:C5H2N3ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-chloro-N-(1,3-thiazol-2-yl)dithiazol-5-imine is a drug-like molecule.
| MolName | (Z)-4-chloro-N-(1,3-thiazol-2-yl)dithiazol-5-imine |
| MolecularFormula | C5H2N3ClS3 |
| Smiles | ClC1=NSS/C1=N\c1nccs1 |
| InChI | InChI=1S/C5H2ClN3S3/c6-3-4(11-12-9-3)8-5-7-1-2-10-5/h1-2H |
| InChIK | DCKNBMWQMQGGHB-UHFFFAOYSA-N |
| TotalMolweight | 235.743 |
| Molweight | 235.743 |
| MonoisotopicMass | 234.909934 |
| CLogP | 1.1834 |
| CLogS | -2.071 |
| H Acceptors | 3 |
| TotalSurfaceArea | 150.8 |
| Relative PSA | 0.59237 |
| PolarSurfaceArea | 116.45 |
| Druglikeness | 1.0716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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