(2Z)-10,11-dibromo-2,3,10,11-tetradeuteriotricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
Formula:C16H8Br2D4
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
(2Z)-10,11-dibromo-2,3,10,11-tetradeuteriotricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene is not a drug-like molecule.
| MolName | (2Z)-10,11-dibromo-2,3,10,11-tetradeuteriotricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene |
| MolecularFormula | C16H8Br2D4 |
| Smiles | [2H]C(C1([2H])Br)(c(cccc2)c2/C(/[2H])=C(/[2H])\c2c1cccc2)Br |
| InChI | InChI=1S/C16H12Br2/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(15)18/h1-10,15-16H/i9D,10D,15D,16D |
| InChIK | SMCMCCLYQZTDDK-MIQLSMKXSA-N |
| TotalMolweight | 368.104 |
| Molweight | 368.104 |
| MonoisotopicMass | 365.955272 |
| CLogP | 5.963 |
| CLogS | -5.372 |
| TotalSurfaceArea | 208.28 |
| Druglikeness | -6.6726 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | sec./tert. alkyl-bromide/iodide; unwanted atom |
| Shape Index | 0.40909 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 11 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (2Z)-10,11-dibromo-2,3,10,11-tetradeuteriotricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene | 2 - (2Z)-10,11-dibromo-2,3,10,11-tetradeuteriotricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
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