(2Z)-2-[(2-chlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Formula:C17H13OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-[(2-chlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(2-chlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C17H13OCl |
| Smiles | O=C(/C(/CC1)=C\c(cccc2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C17H13ClO/c18-16-8-4-2-6-13(16)11-14-10-9-12-5-1-3-7-15(12)17(14)19/h1-8,11H,9-10H2 |
| InChIK | KAJPIDMXCPXRTG-UHFFFAOYSA-N |
| TotalMolweight | 268.742 |
| Molweight | 268.742 |
| MonoisotopicMass | 268.065492 |
| CLogP | 4.6188 |
| CLogS | -5.019 |
| H Acceptors | 1 |
| TotalSurfaceArea | 204.92 |
| Relative PSA | 0.063635 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.16697 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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