| MolName | propyl 4-[[2-(2-prop-2-enylphenoxy)acetyl]amino]benzoate |
| MolecularFormula | C21H23NO4 |
| Smiles | CCCOC(c(cc1)ccc1NC(COc1c(CC=C)cccc1)=O)=O |
| InChI | InChI=1S/C21H23NO4/c1-3-7-16-8-5-6-9-19(16)26-15-20(23)22-18-12-10-17(11-13-18)21(24)25-14-4-2/h3,5-6,8-13H,1,4,7,14-15H2,2H3,(H,22,23) |
| InChIK | UMVYXBXSPSZHMO-UHFFFAOYSA-N |
| TotalMolweight | 353.417 |
| Molweight | 353.417 |
| MonoisotopicMass | 353.162709 |
| CLogP | 4.1841 |
| CLogS | -4.331 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.82 |
| Relative PSA | 0.19718 |
| PolarSurfaceArea | 64.63 |
| Druglikeness | -2.0498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - propyl 4-[[2-(2-prop-2-enylphenoxy)acetyl]amino]benzoate | 2 - propyl 4-[[2-(2-prop-2-enylphenoxy)acetyl]amino]benzoate