N-benzyl-2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
Formula:C31H27N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-benzyl-2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide is not a drug-like molecule.
| MolName | N-benzyl-2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C31H27N3O3S |
| Smiles | O=C(COc1ccc(/C=N\NC(CSC2c(cccc3)c3-c3c2cccc3)=O)cc1)NCc1ccccc1 |
| InChI | InChI=1S/C31H27N3O3S/c35-29(32-18-22-8-2-1-3-9-22)20-37-24-16-14-23(15-17-24)19-33-34-30(36)21-38-31-27-12-6-4-10-25(27)26-11-5-7-13-28(26)31/h1-17,19,31H,18,20-21H2,(H,32,35)(H,34,36) |
| InChIK | YJHPFWAEKJCPFJ-UHFFFAOYSA-N |
| TotalMolweight | 521.639 |
| Molweight | 521.639 |
| MonoisotopicMass | 521.177312 |
| CLogP | 5.1837 |
| CLogS | -9.046 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 403.49 |
| Relative PSA | 0.2181 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 6.4016 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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