N-[(Z)-benzylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
Formula:C22H18N2OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide |
| MolecularFormula | C22H18N2OS |
| Smiles | O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H18N2OS/c25-21(24-23-14-16-8-2-1-3-9-16)15-26-22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h1-14,22H,15H2,(H,24,25) |
| InChIK | ORBUIKAYGUWJMS-UHFFFAOYSA-N |
| TotalMolweight | 358.464 |
| Molweight | 358.464 |
| MonoisotopicMass | 358.113983 |
| CLogP | 4.7519 |
| CLogS | -7.938 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277 |
| Relative PSA | 0.19314 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 5.8144 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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