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

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9JSO4A4Z5U
EPA CompTox DTXSID2064286

Structure

InChI Key CLSZOXOVVBCADB-UHFFFAOYSA-N
Smiles CNc1ccc(O)c2c1C(=O)c1c(cccc1)C2=O
InChI
InChI=1S/C15H11NO3/c1-16-10-6-7-11(17)13-12(10)14(18)8-4-2-3-5-9(8)15(13)19/h2-7,16-17H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11N1O3
Molecular Weight 253.07
AlogP 2.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 66.4
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 6373-16-6
NORMAN SUSDAT
FDA SRS 9JSO4A4Z5U
PubChem 80761
ChemSpider 72915.0
CONTENTS