1-(7-Hydroxy-9h-pyrido[3,4-b]indol-1-yl)-ethanone
PubChem CID: 14396466
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| Compound Synonyms | Arenarine D, 123520-96-7, 1-acetyl-2,9-dihydropyrido[3,4-b]indol-7-one, 1-(7-Hydroxy-9h-pyrido[3,4-b]indol-1-yl)-ethanone, AKOS040736118, DB-345375 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 601.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-acetyl-2,9-dihydropyrido[3,4-b]indol-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C13H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPGDUIMHOHABOW-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.873 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.384 |
| Compound Name | 1-(7-Hydroxy-9h-pyrido[3,4-b]indol-1-yl)-ethanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 226.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.989939352941177 |
| Inchi | InChI=1S/C13H10N2O2/c1-7(16)12-13-10(4-5-14-12)9-3-2-8(17)6-11(9)15-13/h2-6,14-15H,1H3 |
| Smiles | CC(=O)C1=C2C(=C3C=CC(=O)C=C3N2)C=CN1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Schrenkiana (Plant) Rel Props:Source_db:cmaup_ingredients