(4Z)-4-benzylideneisoquinoline-1,3-dione
Formula:C16H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4Z)-4-benzylideneisoquinoline-1,3-dione is a drug-like molecule.
| MolName | (4Z)-4-benzylideneisoquinoline-1,3-dione |
| MolecularFormula | C16H11NO2 |
| Smiles | O=C(/C(/c1c2cccc1)=C\c1ccccc1)NC2=O |
| InChI | InChI=1S/C16H11NO2/c18-15-13-9-5-4-8-12(13)14(16(19)17-15)10-11-6-2-1-3-7-11/h1-10H,(H,17,18,19) |
| InChIK | ZPLIHFGNPOPRRQ-UHFFFAOYSA-N |
| TotalMolweight | 249.268 |
| Molweight | 249.268 |
| MonoisotopicMass | 249.078979 |
| CLogP | 2.2264 |
| CLogS | -3.314 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 191.19 |
| Relative PSA | 0.19635 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 3.3205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-benzylideneisoquinoline-1,3-dione | 2 - (4Z)-4-benzylideneisoquinoline-1,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off