2-[(4-bromophenyl)methylsulfanyl]-N-naphthalen-1-ylacetamide
Formula:C19H16NOBrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(4-bromophenyl)methylsulfanyl]-N-naphthalen-1-ylacetamide is a drug-like molecule.
| MolName | 2-[(4-bromophenyl)methylsulfanyl]-N-naphthalen-1-ylacetamide |
| MolecularFormula | C19H16NOBrS |
| Smiles | O=C(CSCc(cc1)ccc1Br)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C19H16BrNOS/c20-16-10-8-14(9-11-16)12-23-13-19(22)21-18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,21,22) |
| InChIK | GLFNBLWYRHUVBR-UHFFFAOYSA-N |
| TotalMolweight | 386.312 |
| Molweight | 386.312 |
| MonoisotopicMass | 385.013595 |
| CLogP | 4.9163 |
| CLogS | -6.354 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 260.47 |
| Relative PSA | 0.16121 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | -0.50093 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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