(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile
Formula:C17H10N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile |
| MolecularFormula | C17H10N3ClS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1cnccc1 |
| InChI | InChI=1S/C17H10ClN3S/c18-15-5-3-13(4-6-15)16-11-22-17(21-16)14(9-19)8-12-2-1-7-20-10-12/h1-8,10-11H |
| InChIK | FIIUHQMCJHIPLB-UHFFFAOYSA-N |
| TotalMolweight | 323.806 |
| Molweight | 323.806 |
| MonoisotopicMass | 323.028394 |
| CLogP | 3.518 |
| CLogS | -4.378 |
| H Acceptors | 3 |
| TotalSurfaceArea | 248.08 |
| Relative PSA | 0.22517 |
| PolarSurfaceArea | 77.81 |
| Druglikeness | -1.6018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile | 2 - (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile
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