2-benzylsulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C16H15N2OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-benzylsulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H15N2OFS |
| Smiles | O=C(CSCc1ccccc1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C16H15FN2OS/c17-15-8-6-13(7-9-15)10-18-19-16(20)12-21-11-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,19,20) |
| InChIK | BMABRFYIFXBXDC-UHFFFAOYSA-N |
| TotalMolweight | 302.372 |
| Molweight | 302.372 |
| MonoisotopicMass | 302.088911 |
| CLogP | 3.492 |
| CLogS | -4.821 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 238.35 |
| Relative PSA | 0.22446 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 3.3285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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