9,10-ANTHRACENEDIONE, 1-(ETHYLAMINO)-4-(METHYLAMINO)-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 26RRJ5RS2Z
EPA CompTox DTXSID6070148

Structure

InChI Key JOIIEYIBZDNPMY-UHFFFAOYSA-N
Smiles CCNc1ccc(NC)c2c1C(=O)c1c(cccc1)C2=O
InChI
InChI=1S/C17H16N2O2/c1-3-19-13-9-8-12(18-2)14-15(13)17(21)11-7-5-4-6-10(11)16(14)20/h4-9,18-19H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16N2O2
Molecular Weight 280.12
AlogP 2.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 58.2
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 65000-36-4
NORMAN SUSDAT
FDA SRS 26RRJ5RS2Z
PubChem 103062
ChemSpider 93108.0
CONTENTS