3-[[(1R,5S,7S)-8-methylidene-6-propan-2-yl-6-azabicyclo[3.2.1]oct-3-en-7-yl]methyl]-1H-indole
PubChem CID: 163002671
Connections displayed (default: 10).
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| Topological Polar Surface Area | 19.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 466.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 3-[[(1R,5S,7S)-8-methylidene-6-propan-2-yl-6-azabicyclo[3.2.1]oct-3-en-7-yl]methyl]-1H-indole |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C20H24N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SMPYGFGFKJAEJW-UXPWSPDFSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.005 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.812 |
| Compound Name | 3-[[(1R,5S,7S)-8-methylidene-6-propan-2-yl-6-azabicyclo[3.2.1]oct-3-en-7-yl]methyl]-1H-indole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.403768472727272 |
| Inchi | InChI=1S/C20H24N2/c1-13(2)22-19-10-6-8-16(14(19)3)20(22)11-15-12-21-18-9-5-4-7-17(15)18/h4-7,9-10,12-13,16,19-21H,3,8,11H2,1-2H3/t16-,19+,20+/m1/s1 |
| Smiles | CC(C)N1[C@H]2C=CC[C@@H]([C@@H]1CC3=CNC4=CC=CC=C43)C2=C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dictamnus Caucasicus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dryopteris Chrysocoma (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Justicia Procumbens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Salvia Canariensis (Plant) Rel Props:Source_db:cmaup_ingredients