(2Z,8Z)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene
Formula:C16H12
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(2Z,8Z)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene is a drug-like molecule.
| MolName | (2Z,8Z)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene |
| MolecularFormula | C16H12 |
| Smiles | c1cc2ccc1/C=C\c(cc1)ccc1/C=C2 |
| InChI | InChI=1S/C16H12/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-12H |
| InChIK | YLCDUOJDMCMBJY-UHFFFAOYSA-N |
| TotalMolweight | 204.271 |
| Molweight | 204.271 |
| MonoisotopicMass | 204.0939 |
| CLogP | 4.414 |
| CLogS | -4.802 |
| TotalSurfaceArea | 172.52 |
| Druglikeness | -1.7224 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 16 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 13 |
| StereoCon |
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1 - (2Z,8Z)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene | 2 - (2Z,8Z)-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,8,10(14),11,15-octaene
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