Basic information
- Standard SMILES
CCCC1CCC(c2ccc(-c3ccccc3)n2CC(=O)O)CC1- InChIKey
DSIBGVSCWHXVKI-UHFFFAOYSA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
Names & identifiers
- Preferred name
- [2-Phenyl-5-(4-propyl-cyclohexyl)-pyrrol-1-yl]-acetic acid
- IUPAC
- 2-[2-phenyl-5-(4-propylcyclohexyl)pyrrol-1-yl]acetic acid
Names & synonyms
SCHEMBL4497722DSIBGVSCWHXVKI-UHFFFAOYSA-N[2-phenyl-5-(4-propyl-cyclohexyl)-pyrrol-1-yl]-acetic acid
Database identifiers
- PubChem CID
- 57423722
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Related reactions
2 records
Compound notes
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