(6E)-6-[(2,4-dichlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
Formula:C18H14OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-6-[(2,4-dichlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is not a drug-like molecule.
| MolName | (6E)-6-[(2,4-dichlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one |
| MolecularFormula | C18H14OCl2 |
| Smiles | O=C(c1c(CCC2)cccc1)/C2=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H14Cl2O/c19-15-9-8-13(17(20)11-15)10-14-6-3-5-12-4-1-2-7-16(12)18(14)21/h1-2,4,7-11H,3,5-6H2 |
| InChIK | NLWKPGKQYNPZAG-UHFFFAOYSA-N |
| TotalMolweight | 317.214 |
| Molweight | 317.214 |
| MonoisotopicMass | 316.042169 |
| CLogP | 5.5668 |
| CLogS | -6.025 |
| H Acceptors | 1 |
| TotalSurfaceArea | 234.1 |
| Relative PSA | 0.055703 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -2.047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (6E)-6-[(2,4-dichlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one | 2 - (6E)-6-[(2,4-dichlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
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