| MolName | (Z)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]-4-phenylbut-3-enehydrazide |
| MolecularFormula | C31H25N2O5P |
| Smiles | O/C(/c1ccccc1)=C\C(C(NNC(C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)=O)=O)=O |
| InChI | InChI=1S/C31H25N2O5P/c34-27(23-13-5-1-6-14-23)21-28(35)30(37)32-33-31(38)29(36)22-39(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,34H,(H,32,37)(H,33,38) |
| InChIK | KVPUBQZTBZKNGI-UHFFFAOYSA-N |
| TotalMolweight | 536.523 |
| Molweight | 536.523 |
| MonoisotopicMass | 536.15011 |
| CLogP | 3.0984 |
| CLogS | -6.181 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 408.25 |
| Relative PSA | 0.22574 |
| PolarSurfaceArea | 122.38 |
| Druglikeness | -9.4619 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| StereoCon |
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1 - (Z)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]-4-phenylbut-3-enehydrazide | 2 - (Z)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]-4-phenylbut-3-enehydrazide