| MolName | [(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] furan-2-carboxylate |
| MolecularFormula | C16H10N3O4ClS |
| Smiles | NC(/C(/c1nc(-c(cc2)ccc2Cl)cs1)=N/OC(c1ccco1)=O)=O |
| InChI | InChI=1S/C16H10ClN3O4S/c17-10-5-3-9(4-6-10)11-8-25-15(19-11)13(14(18)21)20-24-16(22)12-2-1-7-23-12/h1-8H,(H2,18,21) |
| InChIK | LAHUBGHTMQOVJB-UHFFFAOYSA-N |
| TotalMolweight | 375.791 |
| Molweight | 375.791 |
| MonoisotopicMass | 375.008054 |
| CLogP | 2.5569 |
| CLogS | -4.908 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 269.58 |
| Relative PSA | 0.40174 |
| PolarSurfaceArea | 136.02 |
| Druglikeness | 1.8882 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] furan-2-carboxylate | 2 - [(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] furan-2-carboxylate