(E)-3-(4-chlorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C16H9N2OClS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C16H9N2OClS |
| Smiles | N#C/C(/c1nc(-c2ccco2)cs1)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H9ClN2OS/c17-13-5-3-11(4-6-13)8-12(9-18)16-19-14(10-21-16)15-2-1-7-20-15/h1-8,10H |
| InChIK | JTPUIGOWKXQCIX-UHFFFAOYSA-N |
| TotalMolweight | 312.779 |
| Molweight | 312.779 |
| MonoisotopicMass | 312.01241 |
| CLogP | 3.7446 |
| CLogS | -4.523 |
| H Acceptors | 3 |
| TotalSurfaceArea | 239.01 |
| Relative PSA | 0.24685 |
| PolarSurfaceArea | 78.06 |
| Druglikeness | -1.9148 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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