Basic information
- Standard SMILES
CC12CCC(=O)NC1=CCC1C2CCC2(C)C(C(=O)O)CCC12- InChIKey
WNUUCDPRBZUXGL-UHFFFAOYSA-N- Molecular formula
- C19H27NO3
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- 9a,11a-Dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
- IUPAC
- 9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
Names & synonyms
SCHEMBL14214563
Database identifiers
- PubChem CID
- 22020172
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 597
Related reactions
13 records
Compound notes
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