2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
Formula:C24H21N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C24H21N3O3S |
| Smiles | NC(COc1ccc(/C=N\NC(CSC2c(cccc3)c3-c3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C24H21N3O3S/c25-22(28)14-30-17-11-9-16(10-12-17)13-26-27-23(29)15-31-24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1-13,24H,14-15H2,(H2,25,28)(H,27,29) |
| InChIK | VGDJIOLXJQEHCB-UHFFFAOYSA-N |
| TotalMolweight | 431.515 |
| Molweight | 431.515 |
| MonoisotopicMass | 431.130362 |
| CLogP | 3.4141 |
| CLogS | -7.807 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 327.03 |
| Relative PSA | 0.28074 |
| PolarSurfaceArea | 119.08 |
| Druglikeness | 5.9615 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
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