4-[(Z)-inden-1-ylidenemethyl]benzaldehyde
Formula:C17H12O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-inden-1-ylidenemethyl]benzaldehyde is a drug-like molecule.
| MolName | 4-[(Z)-inden-1-ylidenemethyl]benzaldehyde |
| MolecularFormula | C17H12O |
| Smiles | O=Cc1ccc(/C=C(/C=C2)\c3c2cccc3)cc1 |
| InChI | InChI=1S/C17H12O/c18-12-14-7-5-13(6-8-14)11-16-10-9-15-3-1-2-4-17(15)16/h1-12H |
| InChIK | VYEYUTOGWOFKME-UHFFFAOYSA-N |
| TotalMolweight | 232.281 |
| Molweight | 232.281 |
| MonoisotopicMass | 232.088815 |
| CLogP | 3.7407 |
| CLogS | -4.259 |
| H Acceptors | 1 |
| TotalSurfaceArea | 190.27 |
| Relative PSA | 0.068534 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -2.8581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(Z)-inden-1-ylidenemethyl]benzaldehyde | 2 - 4-[(Z)-inden-1-ylidenemethyl]benzaldehyde
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off