Basic information
- Standard SMILES
CO[C@H]1CCN2[C@@H]3C=CC4=CC(=O)O[C@]4(C3)[C@H]2C1- InChIKey
YKLWRYOORWTCQQ-CZXHOFHRSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- (1S,2R,4S,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
- IUPAC
- (1S,2R,4S,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Names & synonyms
CHEMBL4592630
Database identifiers
- ChEMBL
CHEMBL4592630
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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