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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Klasse | Ergoline and derivatives |
| Subclass | Lysergic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lysergic acids and derivatives |
| Alternative Parents | 6,7-secoergolines Benzoquinolines Quinoline-3-carboxamides Tetralins Isoindolones Indolines Aralkylamines Tertiary carboxylic acid amides Tertiary alcohols Lactams Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Lysergic acid or derivatives - 6,7-secoergoline - Benzoquinoline - Quinoline-3-carboxamide - Isoindolone - Tetralin - Quinoline - Indole or derivatives - Dihydroindole - Isoindole or derivatives - Aralkylamine - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton. |
| External Descriptors | Not available |
| Molekulargewicht | 355.400 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 355.19 Da |
| Monoisotopic Mass | 355.19 Da |
| Topological Polar Surface Area | 72.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 644.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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