(2E)-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one
Formula:C20H19NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2E)-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one |
| MolecularFormula | C20H19NO2 |
| Smiles | O=C(/C(/C1)=C(\c2ccccc2)/N2CCOCC2)c2c1cccc2 |
| InChI | InChI=1S/C20H19NO2/c22-20-17-9-5-4-8-16(17)14-18(20)19(15-6-2-1-3-7-15)21-10-12-23-13-11-21/h1-9H,10-14H2 |
| InChIK | YRFZUSRRVUUYIW-UHFFFAOYSA-N |
| TotalMolweight | 305.376 |
| Molweight | 305.376 |
| MonoisotopicMass | 305.141579 |
| CLogP | 3.1549 |
| CLogS | -3.243 |
| H Acceptors | 3 |
| TotalSurfaceArea | 235.79 |
| Relative PSA | 0.11277 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 2.8476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43478 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one | 2 - (2E)-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off