(6aR)-2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxamide
PubChem CID: 162848202
Connections displayed (default: 10).
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| Topological Polar Surface Area | 75.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aR)-2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C18H18N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | REIOFFRKHKBYPU-CYBMUJFWSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.873 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.615 |
| Compound Name | (6aR)-2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 310.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.132 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.738175556521739 |
| Inchi | InChI=1S/C18H18N2O3/c1-23-17-14(21)9-11-6-7-20(18(19)22)13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,21H,6-8H2,1H3,(H2,19,22)/t13-/m1/s1 |
| Smiles | COC1=C(C=C2CCN([C@H]3C2=C1C4=CC=CC=C4C3)C(=O)N)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients