| MolName | 2-[3-hydroxy-2-oxo-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-1-yl]acetamide |
| MolecularFormula | C20H18N2O4 |
| Smiles | NC(CN(C(C1(CC(/C=C/c2ccccc2)=O)O)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C20H18N2O4/c21-18(24)13-22-17-9-5-4-8-16(17)20(26,19(22)25)12-15(23)11-10-14-6-2-1-3-7-14/h1-11,26H,12-13H2,(H2,21,24)/t20-/m0/s1 |
| InChIK | RONPNHXUDQJRIH-FQEVSTJZSA-N |
| TotalMolweight | 350.373 |
| Molweight | 350.373 |
| MonoisotopicMass | 350.126658 |
| CLogP | 1.1548 |
| CLogS | -3.432 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 262.37 |
| Relative PSA | 0.27076 |
| PolarSurfaceArea | 100.7 |
| Druglikeness | 6.4011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[3-hydroxy-2-oxo-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-1-yl]acetamide | 2 - 2-[3-hydroxy-2-oxo-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-1-yl]acetamide