5,8-dihydroxy-4-(1H-indol-3-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID: 145973724
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| Compound Synonyms | CHEMBL4216211 |
|---|---|
| Topological Polar Surface Area | 73.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-4-(1H-indol-3-yl)-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RITJTCRMDJGRLM-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.732 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.549 |
| Compound Name | 5,8-dihydroxy-4-(1H-indol-3-yl)-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 293.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 293.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.264341854545454 |
| Inchi | InChI=1S/C18H15NO3/c20-14-7-8-16(22)18-15(21)6-5-11(17(14)18)12-9-19-13-4-2-1-3-10(12)13/h1-4,7-9,11,19-20,22H,5-6H2 |
| Smiles | C1CC(=O)C2=C(C=CC(=C2C1C3=CNC4=CC=CC=C43)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients