(E)-2-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
Formula:C19H9N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C19H9N2O2ClS2 |
| Smiles | N#C/C(/c1nc(C2=Cc(cc(cc3)Cl)c3OC2=O)cs1)=C\c1cccs1 |
| InChI | InChI=1S/C19H9ClN2O2S2/c20-13-3-4-17-11(6-13)8-15(19(23)24-17)16-10-26-18(22-16)12(9-21)7-14-2-1-5-25-14/h1-8,10H |
| InChIK | CYIKZRDHKCGGEA-UHFFFAOYSA-N |
| TotalMolweight | 396.877 |
| Molweight | 396.877 |
| MonoisotopicMass | 395.979395 |
| CLogP | 3.7823 |
| CLogS | -5.14 |
| H Acceptors | 4 |
| TotalSurfaceArea | 284.22 |
| Relative PSA | 0.31064 |
| PolarSurfaceArea | 119.46 |
| Druglikeness | -0.65445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-2-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile | 2 - (E)-2-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
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