(E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-thiophen-2-ylprop-2-enenitrile
Formula:C19H11NOCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-thiophen-2-ylprop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C19H11NOCl2S |
| Smiles | N#C/C(/c1cccs1)=C\c(cccc1)c1Oc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H11Cl2NOS/c20-15-7-8-18(16(21)11-15)23-17-5-2-1-4-13(17)10-14(12-22)19-6-3-9-24-19/h1-11H |
| InChIK | VPRJWTZOCPLETQ-UHFFFAOYSA-N |
| TotalMolweight | 372.274 |
| Molweight | 372.274 |
| MonoisotopicMass | 370.993838 |
| CLogP | 5.8068 |
| CLogS | -7.408 |
| H Acceptors | 2 |
| TotalSurfaceArea | 275.98 |
| Relative PSA | 0.15914 |
| PolarSurfaceArea | 61.26 |
| Druglikeness | -2.4608 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| StereoCon |
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