(2E,8E)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene-2,8-dicarbonitrile
Formula:C18H10N2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(2E,8E)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene-2,8-dicarbonitrile is a drug-like molecule.
| MolName | (2E,8E)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene-2,8-dicarbonitrile |
| MolecularFormula | C18H10N2 |
| Smiles | N#C/C1=C/c(cc2)ccc2/C(/C#N)=C\c2ccc1cc2 |
| InChI | InChI=1S/C18H10N2/c19-11-17-9-13-1-5-15(6-2-13)18(12-20)10-14-3-7-16(17)8-4-14/h1-10H |
| InChIK | CZEFHVLOASZOJL-UHFFFAOYSA-N |
| TotalMolweight | 254.291 |
| Molweight | 254.291 |
| MonoisotopicMass | 254.084398 |
| CLogP | 3.346 |
| CLogS | -4.556 |
| H Acceptors | 2 |
| TotalSurfaceArea | 212.36 |
| Relative PSA | 0.12771 |
| PolarSurfaceArea | 47.58 |
| Druglikeness | -5.0798 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 12 |
| StereoCon |
Click to Load Molecule:
1 - (2E,8E)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene-2,8-dicarbonitrile | 2 - (2E,8E)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene-2,8-dicarbonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off