(2E)-2-[(4-chlorophenyl)methylidene]acenaphthylen-1-one
Formula:C19H11OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2E)-2-[(4-chlorophenyl)methylidene]acenaphthylen-1-one is a drug-like molecule.
| MolName | (2E)-2-[(4-chlorophenyl)methylidene]acenaphthylen-1-one |
| MolecularFormula | C19H11OCl |
| Smiles | O=C(/C(/c1ccc2)=C/c(cc3)ccc3Cl)c3c1c2ccc3 |
| InChI | InChI=1S/C19H11ClO/c20-14-9-7-12(8-10-14)11-17-15-5-1-3-13-4-2-6-16(18(13)15)19(17)21/h1-11H |
| InChIK | NHSHIKCBFLJUQH-UHFFFAOYSA-N |
| TotalMolweight | 290.748 |
| Molweight | 290.748 |
| MonoisotopicMass | 290.049842 |
| CLogP | 4.8788 |
| CLogS | -6.053 |
| H Acceptors | 1 |
| TotalSurfaceArea | 212 |
| Relative PSA | 0.061509 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.52891 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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