[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] thiophene-2-carboxylate
Formula:C13H11NO3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] thiophene-2-carboxylate |
| MolecularFormula | C13H11NO3S |
| Smiles | O=C(c1cccs1)O/N=C(/CCC1)\c2c1occ2 |
| InChI | InChI=1S/C13H11NO3S/c15-13(12-5-2-8-18-12)17-14-10-3-1-4-11-9(10)6-7-16-11/h2,5-8H,1,3-4H2 |
| InChIK | IWXDZAXXHCEPNW-UHFFFAOYSA-N |
| TotalMolweight | 261.3 |
| Molweight | 261.3 |
| MonoisotopicMass | 261.045964 |
| CLogP | 3.6461 |
| CLogS | -4.412 |
| H Acceptors | 4 |
| TotalSurfaceArea | 197.15 |
| Relative PSA | 0.35009 |
| PolarSurfaceArea | 80.04 |
| Druglikeness | -2.7207 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| StereoCon |
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