[(E)-[amino(phenyl)methylidene]amino] 2-thiophen-2-ylacetate
Formula:C13H12N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] 2-thiophen-2-ylacetate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 2-thiophen-2-ylacetate |
| MolecularFormula | C13H12N2O2S |
| Smiles | N/C(/c1ccccc1)=N/OC(Cc1cccs1)=O |
| InChI | InChI=1S/C13H12N2O2S/c14-13(10-5-2-1-3-6-10)15-17-12(16)9-11-7-4-8-18-11/h1-8H,9H2,(H2,14,15) |
| InChIK | ZBFHHZGTMPQGAA-UHFFFAOYSA-N |
| TotalMolweight | 260.316 |
| Molweight | 260.316 |
| MonoisotopicMass | 260.061948 |
| CLogP | 2.9368 |
| CLogS | -3.511 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 201.96 |
| Relative PSA | 0.34749 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -1.2817 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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