N-(2-chlorophenyl)-2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
Formula:C30H24N3O3ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-(2-chlorophenyl)-2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide is not a drug-like molecule.
| MolName | N-(2-chlorophenyl)-2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C30H24N3O3ClS |
| Smiles | O=C(COc1ccc(/C=N\NC(CSC2c(cccc3)c3-c3c2cccc3)=O)cc1)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C30H24ClN3O3S/c31-26-11-5-6-12-27(26)33-28(35)18-37-21-15-13-20(14-16-21)17-32-34-29(36)19-38-30-24-9-3-1-7-22(24)23-8-2-4-10-25(23)30/h1-17,30H,18-19H2,(H,33,35)(H,34,36) |
| InChIK | NVBXUUCAPSKYFG-UHFFFAOYSA-N |
| TotalMolweight | 542.058 |
| Molweight | 542.058 |
| MonoisotopicMass | 541.122689 |
| CLogP | 6.0803 |
| CLogS | -9.966 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 405.15 |
| Relative PSA | 0.2172 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 6.1056 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60526 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - N-(2-chlorophenyl)-2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide | 2 - N-(2-chlorophenyl)-2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
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