2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
Formula:C22H17N2OFS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H17N2OFS |
| Smiles | O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C22H17FN2OS/c23-20-12-6-1-7-15(20)13-24-25-21(26)14-27-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h1-13,22H,14H2,(H,25,26) |
| InChIK | FLMVHGHDIBEFOV-UHFFFAOYSA-N |
| TotalMolweight | 376.454 |
| Molweight | 376.454 |
| MonoisotopicMass | 376.104561 |
| CLogP | 4.8527 |
| CLogS | -8.252 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 283.35 |
| Relative PSA | 0.18881 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.4744 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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