(6E)-6-[(2-chlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
Formula:C18H15OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(6E)-6-[(2-chlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is a drug-like molecule.
| MolName | (6E)-6-[(2-chlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one |
| MolecularFormula | C18H15OCl |
| Smiles | O=C(c1c(CCC2)cccc1)/C2=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C18H15ClO/c19-17-11-4-2-7-14(17)12-15-9-5-8-13-6-1-3-10-16(13)18(15)20/h1-4,6-7,10-12H,5,8-9H2 |
| InChIK | TWKPCOVDXATRSQ-UHFFFAOYSA-N |
| TotalMolweight | 282.769 |
| Molweight | 282.769 |
| MonoisotopicMass | 282.081142 |
| CLogP | 4.9608 |
| CLogS | -5.289 |
| H Acceptors | 1 |
| TotalSurfaceArea | 218.68 |
| Relative PSA | 0.059631 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -2.047 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| 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-chlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one | 2 - (6E)-6-[(2-chlorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
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