(2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-4,5-dihydrobenzo[e][1,3]benzodithiole
Formula:C22H16S4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-4,5-dihydrobenzo[e][1,3]benzodithiole is not a drug-like molecule.
| MolName | (2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-4,5-dihydrobenzo[e][1,3]benzodithiole |
| MolecularFormula | C22H16S4 |
| Smiles | C(Cc1c2cccc1)C(S1)=C2S/C1=C1/SC(c2c(CC3)cccc2)=C3S1 |
| InChI | InChI=1S/C22H16S4/c1-3-7-15-13(5-1)9-11-17-19(15)25-21(23-17)22-24-18-12-10-14-6-2-4-8-16(14)20(18)26-22/h1-8H,9-12H2 |
| InChIK | HLCLRAOJDURVGY-UHFFFAOYSA-N |
| TotalMolweight | 408.633 |
| Molweight | 408.633 |
| MonoisotopicMass | 408.01348 |
| CLogP | 9.0942 |
| CLogS | -4.88 |
| TotalSurfaceArea | 272.78 |
| Relative PSA | 0.25647 |
| PolarSurfaceArea | 101.2 |
| Druglikeness | -0.49262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 13 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-4,5-dihydrobenzo[e][1,3]benzodithiole | 2 - (2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-4,5-dihydrobenzo[e][1,3]benzodithiole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off