Basic information
- Standard SMILES
Cl.O=c1c(-c2ccccc2)coc2cc(OCC(O)CNC3CCCCCCC3)ccc12- InChIKey
HRXDGXKRPBIDNB-UHFFFAOYSA-N- Molecular formula
- C26H32ClNO4
- Average molar mass
- 458 g/mol
- Monoisotopic mass
- 457.2019862
Names & identifiers
- Preferred name
- 7-(2-Hydroxy-3-cyclooctylaminopropoxy)-isoflavone hydrochloride
- IUPAC
- 7-[3-(cyclooctylamino)-2-hydroxypropoxy]-3-phenylchromen-4-one;hydrochloride
Names & synonyms
SCHEMBL11014452HRXDGXKRPBIDNB-UHFFFAOYSA-N7-(2-hydroxy-3-cyclooctylaminopropoxy)-isoflavone hydrochloride
Database identifiers
- PubChem CID
- 20406830
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 592
Related reactions
1 records
Compound notes
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