(1E)-2-chloro-N-(thiophene-2-carbonylamino)benzenecarboximidoyl cyanide
Formula:C13H8N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-chloro-N-(thiophene-2-carbonylamino)benzenecarboximidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-chloro-N-(thiophene-2-carbonylamino)benzenecarboximidoyl cyanide |
| MolecularFormula | C13H8N3OClS |
| Smiles | N#C/C(/c(cccc1)c1Cl)=N/NC(c1cccs1)=O |
| InChI | InChI=1S/C13H8ClN3OS/c14-10-5-2-1-4-9(10)11(8-15)16-17-13(18)12-6-3-7-19-12/h1-7H,(H,17,18) |
| InChIK | KUNNFHOXGFVDIK-UHFFFAOYSA-N |
| TotalMolweight | 289.746 |
| Molweight | 289.746 |
| MonoisotopicMass | 289.007659 |
| CLogP | 2.8577 |
| CLogS | -4.975 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 218.27 |
| Relative PSA | 0.32038 |
| PolarSurfaceArea | 93.49 |
| Druglikeness | 1.0767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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