[(1R,5R,6R,8R)-8-tricyclo[4.2.2.01,5]decanyl] N-(3,4-dichlorophenyl)carbamate
Formula:C17H19NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(1R,5R,6R,8R)-8-tricyclo[4.2.2.01,5]decanyl] N-(3,4-dichlorophenyl)carbamate is a drug-like molecule.
| MolName | [(1R,5R,6R,8R)-8-tricyclo[4.2.2.01,5]decanyl] N-(3,4-dichlorophenyl)carbamate |
| MolecularFormula | C17H19NO2Cl2 |
| Smiles | O=C(Nc(cc1)cc(Cl)c1Cl)O[C@H]1[C@](CCC2)(CC3)[C@H]2[C@H]3C1 |
| InChI | InChI=1S/C17H19Cl2NO2/c18-13-4-3-11(9-14(13)19)20-16(21)22-15-8-10-5-7-17(15)6-1-2-12(10)17/h3-4,9-10,12,15H,1-2,5-8H2,(H,20,21)/t10-,12+,15-,17-/m1/s1 |
| InChIK | ULOOTODLOBJAKK-SADCGLOJSA-N |
| TotalMolweight | 340.249 |
| Molweight | 340.249 |
| MonoisotopicMass | 339.079283 |
| CLogP | 4.8872 |
| CLogS | -6.148 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.28 |
| Relative PSA | 0.14789 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -10.792 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - [(1R,5R,6R,8R)-8-tricyclo[4.2.2.01,5]decanyl] N-(3,4-dichlorophenyl)carbamate | 2 - [(1R,5R,6R,8R)-8-tricyclo[4.2.2.01,5]decanyl] N-(3,4-dichlorophenyl)carbamate
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