Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EG6V6W7WDD
EPA CompTox DTXSID0057962

Structure

InChI Key AHXDSVSZEZHDLV-UHFFFAOYSA-N
Smiles S1C2=CC=C(C=C2SC3=CC=C(C=C13)C)C
InChI
InChI=1/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12S2
Molecular Weight 244.04
AlogP 4.92
Hydrogen Bond Acceptor 2.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 135-58-0
NORMAN SUSDAT
FDA SRS EG6V6W7WDD
PubChem 667491