(E)-2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
Formula:C16H9N2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C16H9N2ClS2 |
| Smiles | N#C/C(/c1nc(-c2cccc(Cl)c2)cs1)=C\c1cccs1 |
| InChI | InChI=1S/C16H9ClN2S2/c17-13-4-1-3-11(7-13)15-10-21-16(19-15)12(9-18)8-14-5-2-6-20-14/h1-8,10H |
| InChIK | LCPNBEQVDQKKFK-UHFFFAOYSA-N |
| TotalMolweight | 328.846 |
| Molweight | 328.846 |
| MonoisotopicMass | 327.989565 |
| CLogP | 4.3855 |
| CLogS | -5.183 |
| H Acceptors | 2 |
| TotalSurfaceArea | 245.26 |
| Relative PSA | 0.26604 |
| PolarSurfaceArea | 93.16 |
| Druglikeness | -1.0209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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