Basic information
- Standard SMILES
O=C1c2cccc(O)c2C(=O)c2c(O)cc(CN(CCO)CCO)cc21- InChIKey
CACGQJJNTUYKFX-UHFFFAOYSA-N- Molecular formula
- C19H19NO6
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.12123733
Names & identifiers
- Preferred name
- 3-[N,N-bis(2-hydroxyethyl)amino]methyl-1,8-dihydroxy-9,10-anthraquinone
- IUPAC
- 3-[[bis(2-hydroxyethyl)amino]methyl]-1,8-dihydroxyanthracene-9,10-dione
Names & synonyms
CHEMBL40769SCHEMBL9878325CACGQJJNTUYKFX-UHFFFAOYSA-N3-[N,N-bis(2-hydroxyethyl)amino] methyl-1,8-dihydroxy-9,10-anthraquinone3-[N,N-bis(2-hydroxyethyl)amino]methyl-1,8-dihydroxy-9,10-anthraquinone
Database identifiers
- PubChem CID
- 147667
- ChEMBL
CHEMBL40769- Nikkaji
- J462.548J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
3 records
Compound notes
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