| MolName | (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]but-3-enehydrazide |
| MolecularFormula | C31H24N2O5ClP |
| Smiles | O/C(/c(cc1)ccc1Cl)=C\C(C(NNC(C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)=O)=O)=O |
| InChI | InChI=1S/C31H24ClN2O5P/c32-23-18-16-22(17-19-23)27(35)20-28(36)30(38)33-34-31(39)29(37)21-40(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21,35H,(H,33,38)(H,34,39) |
| InChIK | ZCUKRGOAHRHPJQ-UHFFFAOYSA-N |
| TotalMolweight | 570.968 |
| Molweight | 570.968 |
| MonoisotopicMass | 570.111137 |
| CLogP | 3.7044 |
| CLogS | -6.917 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 423.67 |
| Relative PSA | 0.21753 |
| PolarSurfaceArea | 122.38 |
| Druglikeness | -9.4198 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.475 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-(4-chlorophenyl)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]but-3-enehydrazide | 2 - (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]but-3-enehydrazide