[(E)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
Formula:C12H10N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C12H10N2O2S |
| Smiles | N/C(/c1ccccc1)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C12H10N2O2S/c13-11(9-5-2-1-3-6-9)14-16-12(15)10-7-4-8-17-10/h1-8H,(H2,13,14) |
| InChIK | MRCLIPQMZZXXRE-UHFFFAOYSA-N |
| TotalMolweight | 246.289 |
| Molweight | 246.289 |
| MonoisotopicMass | 246.046298 |
| CLogP | 2.9387 |
| CLogS | -3.546 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 188.2 |
| Relative PSA | 0.3729 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -0.12817 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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