[(E)-[1-amino-2-(4-chlorophenoxy)ethylidene]amino] thiophene-3-carboxylate
Formula:C13H11N2O3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[1-amino-2-(4-chlorophenoxy)ethylidene]amino] thiophene-3-carboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenoxy)ethylidene]amino] thiophene-3-carboxylate |
| MolecularFormula | C13H11N2O3ClS |
| Smiles | N/C(/COc(cc1)ccc1Cl)=N/OC(c1cscc1)=O |
| InChI | InChI=1S/C13H11ClN2O3S/c14-10-1-3-11(4-2-10)18-7-12(15)16-19-13(17)9-5-6-20-8-9/h1-6,8H,7H2,(H2,15,16) |
| InChIK | WMFVLVGWJBAIBV-UHFFFAOYSA-N |
| TotalMolweight | 310.76 |
| Molweight | 310.76 |
| MonoisotopicMass | 310.01789 |
| CLogP | 3.0374 |
| CLogS | -3.952 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 227.38 |
| Relative PSA | 0.35263 |
| PolarSurfaceArea | 102.15 |
| Druglikeness | -1.3338 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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