[(E)-[amino(pyridin-3-yl)methylidene]amino] thiophene-2-carboxylate
Formula:C11H9N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-3-yl)methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C11H9N3O2S |
| Smiles | N/C(/c1cnccc1)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C11H9N3O2S/c12-10(8-3-1-5-13-7-8)14-16-11(15)9-4-2-6-17-9/h1-7H,(H2,12,14) |
| InChIK | HTDCRMHGDYBKLK-UHFFFAOYSA-N |
| TotalMolweight | 247.277 |
| Molweight | 247.277 |
| MonoisotopicMass | 247.041547 |
| CLogP | 1.9378 |
| CLogS | -2.751 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 186.96 |
| Relative PSA | 0.43405 |
| PolarSurfaceArea | 105.81 |
| Druglikeness | -0.12817 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] thiophene-2-carboxylate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] thiophene-2-carboxylate
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