(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
Formula:C18H11NO2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C18H11NO2S2 |
| Smiles | O=C(/C=C/c1ccc(-c2nc(cccc3)c3s2)o1)c1cccs1 |
| InChI | InChI=1S/C18H11NO2S2/c20-14(17-6-3-11-22-17)9-7-12-8-10-15(21-12)18-19-13-4-1-2-5-16(13)23-18/h1-11H |
| InChIK | ZIEGDSIOWFYNHA-UHFFFAOYSA-N |
| TotalMolweight | 337.422 |
| Molweight | 337.422 |
| MonoisotopicMass | 337.023119 |
| CLogP | 4.2823 |
| CLogS | -4.785 |
| H Acceptors | 3 |
| TotalSurfaceArea | 251.96 |
| Relative PSA | 0.31291 |
| PolarSurfaceArea | 99.58 |
| Druglikeness | 4.0883 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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