(E)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
Formula:C20H12N2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C20H12N2S2 |
| Smiles | N#C/C(/c1nc(-c2cccc3ccccc23)cs1)=C\c1cccs1 |
| InChI | InChI=1S/C20H12N2S2/c21-12-15(11-16-7-4-10-23-16)20-22-19(13-24-20)18-9-3-6-14-5-1-2-8-17(14)18/h1-11,13H |
| InChIK | JLHBRCBDBHNYAR-UHFFFAOYSA-N |
| TotalMolweight | 344.461 |
| Molweight | 344.461 |
| MonoisotopicMass | 344.044188 |
| CLogP | 4.9739 |
| CLogS | -6.053 |
| H Acceptors | 2 |
| TotalSurfaceArea | 264.44 |
| Relative PSA | 0.24675 |
| PolarSurfaceArea | 93.16 |
| Druglikeness | -1.0675 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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