(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)prop-2-enenitrile
Formula:C22H13N2OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)prop-2-enenitrile |
| MolecularFormula | C22H13N2OClS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1ccc(-c2ccccc2)o1 |
| InChI | InChI=1S/C22H13ClN2OS/c23-18-8-6-15(7-9-18)20-14-27-22(25-20)17(13-24)12-19-10-11-21(26-19)16-4-2-1-3-5-16/h1-12,14H |
| InChIK | QFTSHURRXBAVGW-UHFFFAOYSA-N |
| TotalMolweight | 388.877 |
| Molweight | 388.877 |
| MonoisotopicMass | 388.04371 |
| CLogP | 5.4578 |
| CLogS | -6.633 |
| H Acceptors | 3 |
| TotalSurfaceArea | 298.77 |
| Relative PSA | 0.19748 |
| PolarSurfaceArea | 78.06 |
| Druglikeness | -0.65757 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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