Mol Weight - 362.408
Smiles - CCOC(C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O
| Property Name | Property Value |
| Mol Name | (1-Ethoxycarbonylethylidene) triphenylphosphorane |
| Molweight | 362.408 |
| Monoisotopic Mass | 362.143567 |
| Clogp | 5.5214 |
| Clogs | -5.408 |
| H Acceptors | 2 |
| Total Surface Area | 287.75 |
| Relative Psa | 0.093901 |
| Polar Surface Area | 36.11 |
| Druglikeness | -15.48 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.38462 |
| Molecular Flexibility | 0.42424 |
| Molecular Complexity | 0.76113 |
| Fragments | 1 |
| Non H Atoms | 26 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 14 |
| Smiles | CCOC(C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O |
| InChIKey | InChI=1S/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3 |
| InChI | KZENFXVDPUMQOE-UHFFFAOYSA-N |
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1 — (1-Ethoxycarbonylethylidene) triphenylphosphorane | 2 — (1-Ethoxycarbonylethylidene) triphenylphosphorane