| MolName | (5Z)-4-amino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-2-one |
| MolecularFormula | C14H8N2O2Cl2S |
| Smiles | NC(/C(/S1)=C/c2ccc(-c(c(Cl)ccc3)c3Cl)o2)=NC1=O |
| InChI | InChI=1S/C14H8Cl2N2O2S/c15-8-2-1-3-9(16)12(8)10-5-4-7(20-10)6-11-13(17)18-14(19)21-11/h1-6H,(H2,17,18,19) |
| InChIK | PYDYVJOGZUHKKJ-UHFFFAOYSA-N |
| TotalMolweight | 339.202 |
| Molweight | 339.202 |
| MonoisotopicMass | 337.968352 |
| CLogP | 3.1489 |
| CLogS | -6.221 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.49 |
| Relative PSA | 0.30852 |
| PolarSurfaceArea | 93.89 |
| Druglikeness | 2.5664 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-4-amino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-2-one | 2 - (5Z)-4-amino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-2-one