(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
Formula:C18H11N2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile |
| MolecularFormula | C18H11N2ClS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1ccccc1 |
| InChI | InChI=1S/C18H11ClN2S/c19-16-8-6-14(7-9-16)17-12-22-18(21-17)15(11-20)10-13-4-2-1-3-5-13/h1-10,12H |
| InChIK | OTTMAONJSHHZSU-UHFFFAOYSA-N |
| TotalMolweight | 322.818 |
| Molweight | 322.818 |
| MonoisotopicMass | 322.033145 |
| CLogP | 4.5189 |
| CLogS | -5.173 |
| H Acceptors | 2 |
| TotalSurfaceArea | 249.32 |
| Relative PSA | 0.18005 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -1.6018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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