Basic information
- Standard SMILES
CN(CCO)C1=CC(=O)C(Nc2ccc(O)c(Cl)c2)=CC1=O- InChIKey
ZRAYSTGLYUKZBO-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2O4
- Average molar mass
- 322.74 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chloro-4-hydroxyphenylamino)-5-[(2-hydroxyethyl)methylamino][1,4]benzoquinone
- IUPAC
- 2-(3-chloro-4-hydroxyanilino)-5-[2-hydroxyethyl(methyl)amino]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
SCHEMBL15020450ZRAYSTGLYUKZBO-UHFFFAOYSA-N2-(3-chloro-4-hydroxyphenylamino)-5-[(2-hydroxyethyl)methylamino][1,4]benzoquinone
Database identifiers
- PubChem CID
- 89620781
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 518
Related reactions
1 records
Compound notes
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