(2E)-5,5-dichloro-1-naphthalen-1-ylpenta-2,4-dien-1-one
Formula:C15H10OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2E)-5,5-dichloro-1-naphthalen-1-ylpenta-2,4-dien-1-one is not a drug-like molecule.
| MolName | (2E)-5,5-dichloro-1-naphthalen-1-ylpenta-2,4-dien-1-one |
| MolecularFormula | C15H10OCl2 |
| Smiles | O=C(/C=C/C=C(Cl)Cl)c1cccc2ccccc12 |
| InChI | InChI=1S/C15H10Cl2O/c16-15(17)10-4-9-14(18)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H |
| InChIK | NMEFWPJYFOZTKY-UHFFFAOYSA-N |
| TotalMolweight | 277.149 |
| Molweight | 277.149 |
| MonoisotopicMass | 276.010869 |
| CLogP | 5.06 |
| CLogS | -5.467 |
| H Acceptors | 1 |
| TotalSurfaceArea | 207.66 |
| Relative PSA | 0.062795 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.63295 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | 1,1-dihalo-alkene |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Symmetricatoms | 1 |
| StereoCon |
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