(5E)-5-(phenylhydrazinylidene)-1,2,4-dithiazol-3-amine
Formula:C8H8N4S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5E)-5-(phenylhydrazinylidene)-1,2,4-dithiazol-3-amine is a drug-like molecule.
| MolName | (5E)-5-(phenylhydrazinylidene)-1,2,4-dithiazol-3-amine |
| MolecularFormula | C8H8N4S2 |
| Smiles | NC(SS1)=N/C1=N\Nc1ccccc1 |
| InChI | InChI=1S/C8H8N4S2/c9-7-10-8(14-13-7)12-11-6-4-2-1-3-5-6/h1-5,11H,(H2,9,10,12) |
| InChIK | FBRBHPIPSCDGAS-UHFFFAOYSA-N |
| TotalMolweight | 224.312 |
| Molweight | 224.312 |
| MonoisotopicMass | 224.019036 |
| CLogP | 3.4587 |
| CLogS | -3.798 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 160.66 |
| Relative PSA | 0.52739 |
| PolarSurfaceArea | 113.37 |
| Druglikeness | 0.87244 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-5-(phenylhydrazinylidene)-1,2,4-dithiazol-3-amine | 2 - (5E)-5-(phenylhydrazinylidene)-1,2,4-dithiazol-3-amine
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