2,5,7-trideuterio-10-phenylbicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Formula:C17H11D3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,5,7-trideuterio-10-phenylbicyclo[4.4.1]undeca-1,3,5,7,9-pentaene is a drug-like molecule.
| MolName | 2,5,7-trideuterio-10-phenylbicyclo[4.4.1]undeca-1,3,5,7,9-pentaene |
| MolecularFormula | C17H11D3 |
| Smiles | [2H]C1=C(C2)C([2H])=CC=C(c3ccccc3)C2=C([2H])C=C1 |
| InChI | InChI=1S/C17H14/c1-2-9-15(10-3-1)17-12-6-8-14-7-4-5-11-16(17)13-14/h1-12H,13H2/i7D,8D,11D |
| InChIK | LZCZLAUBKGZQLS-LAJMJUAESA-N |
| TotalMolweight | 221.317 |
| Molweight | 221.317 |
| MonoisotopicMass | 221.128075 |
| CLogP | 3.5434 |
| CLogS | -3.111 |
| TotalSurfaceArea | 187.15 |
| Druglikeness | 0.045559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2,5,7-trideuterio-10-phenylbicyclo[4.4.1]undeca-1,3,5,7,9-pentaene | 2 - 2,5,7-trideuterio-10-phenylbicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
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