[(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] thiophene-2-carboxylate
Formula:C14H12N2O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C14H12N2O3S |
| Smiles | N/C(/c(cc1)cc2c1OCC2)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C14H12N2O3S/c15-13(16-19-14(17)12-2-1-7-20-12)10-3-4-11-9(8-10)5-6-18-11/h1-4,7-8H,5-6H2,(H2,15,16) |
| InChIK | PSSYQYPUOPHYTA-UHFFFAOYSA-N |
| TotalMolweight | 288.326 |
| Molweight | 288.326 |
| MonoisotopicMass | 288.056863 |
| CLogP | 3.1645 |
| CLogS | -3.913 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.22 |
| Relative PSA | 0.37782 |
| PolarSurfaceArea | 102.15 |
| Druglikeness | -0.42775 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - [(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] thiophene-2-carboxylate | 2 - [(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] thiophene-2-carboxylate
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