Basic information
- Standard SMILES
CCCCCCCCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21- InChIKey
SRJWIBZITTYSMX-UHFFFAOYSA-N- Molecular formula
- C13H19ClN4O2
- Average molar mass
- 298.77 g/mol
Names & identifiers
- Preferred name
- 8-Chloro-3-octyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-chloro-3-octyl-7H-purine-2,6-dione
Names & synonyms
SCHEMBL3170224CHEMBL3730968SRJWIBZITTYSMX-UHFFFAOYSA-N8-Chloro-3-octyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- PubChem CID
- 59299546
- ChEMBL
CHEMBL3730968
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
4 records
Compound notes
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