(E)-3-(4-chlorophenyl)sulfanyl-1-naphthalen-1-ylprop-2-en-1-one
Formula:C19H13OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-chlorophenyl)sulfanyl-1-naphthalen-1-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)sulfanyl-1-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C19H13OClS |
| Smiles | O=C(/C=C/Sc(cc1)ccc1Cl)c1cccc2ccccc12 |
| InChI | InChI=1S/C19H13ClOS/c20-15-8-10-16(11-9-15)22-13-12-19(21)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H |
| InChIK | ORVCXHJBSWIPSI-UHFFFAOYSA-N |
| TotalMolweight | 324.83 |
| Molweight | 324.83 |
| MonoisotopicMass | 324.037562 |
| CLogP | 5.1507 |
| CLogS | -6.57 |
| H Acceptors | 1 |
| TotalSurfaceArea | 244.78 |
| Relative PSA | 0.12472 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | 0.4153 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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