(R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID: 10421583
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| Compound Synonyms | CHEMBL281357, (r)-aporphine, BDBM50052865, (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
|---|---|
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P32305, P08908, P14416, P19327, P18901 |
| Iupac Name | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Prediction Hob | 1.0 |
| Target Id | NPT92, NPT243 |
| Xlogp | 3.0 |
| Molecular Formula | C17H17N |
| Prediction Swissadme | 0.0 |
| Inchi Key | BZKUYNBAFQJRDM-MRXNPFEDSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.38 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.227 |
| Compound Name | (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 235.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 235.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 235.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.688679333333333 |
| Inchi | InChI=1S/C17H17N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-8,16H,9-11H2,1H3/t16-/m1/s1 |
| Smiles | CN1CCC2=C3[C@H]1CC4=CC=CC=C4C3=CC=C2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Humilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all