3-[[(1R,2R,5S)-4,4-dimethyl-8-methylidene-3-azabicyclo[3.3.1]non-6-en-2-yl]methyl]-1H-indole
PubChem CID: 162958370
Connections displayed (default: 10).
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| Topological Polar Surface Area | 27.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 3-[[(1R,2R,5S)-4,4-dimethyl-8-methylidene-3-azabicyclo[3.3.1]non-6-en-2-yl]methyl]-1H-indole |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C20H24N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OLNBWIWIJSAFFR-SZVBFZGTSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.879 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.118 |
| Compound Name | 3-[[(1R,2R,5S)-4,4-dimethyl-8-methylidene-3-azabicyclo[3.3.1]non-6-en-2-yl]methyl]-1H-indole |
| Prediction Hob Swissadme | 1.0 |
| 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 | -4.236668472727272 |
| Inchi | InChI=1S/C20H24N2/c1-13-8-9-15-11-17(13)19(22-20(15,2)3)10-14-12-21-18-7-5-4-6-16(14)18/h4-9,12,15,17,19,21-22H,1,10-11H2,2-3H3/t15-,17-,19-/m1/s1 |
| Smiles | CC1([C@H]2C[C@@H]([C@H](N1)CC3=CNC4=CC=CC=C43)C(=C)C=C2)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Justicia Procumbens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Canariensis (Plant) Rel Props:Source_db:cmaup_ingredients