[(E)-3-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene
Formula:C14H8Cl4
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
[(E)-3-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene is not a drug-like molecule.
| MolName | [(E)-3-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene |
| MolecularFormula | C14H8Cl4 |
| Smiles | ClC(C(C(Cl)=C1Cl)=C/C=C/c2ccccc2)=C1Cl |
| InChI | InChI=1S/C14H8Cl4/c15-11-10(12(16)14(18)13(11)17)8-4-7-9-5-2-1-3-6-9/h1-8H |
| InChIK | RKERNVBCOIOPFR-UHFFFAOYSA-N |
| TotalMolweight | 318.03 |
| Molweight | 318.03 |
| MonoisotopicMass | 315.938008 |
| CLogP | 5.2402 |
| CLogS | -5.894 |
| TotalSurfaceArea | 218.49 |
| Druglikeness | -0.37995 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | allyl/benzyl chloride; 1,2-dihalo-alkene |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 6 |
| StereoCon |
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