Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K0T77AAY7G

Structure

InChI Key SARMXBVJUDMWKA-UHFFFAOYSA-N
Smiles NC(=O)NC(=O)C(Oc1ccc(Cl)cc1)Oc2ccc(Cl)cc2
InChI
InChI=1S/C15H12Cl2N2O4/c16-9-1-5-11(6-2-9)22-14(13(20)19-15(18)21)23-12-7-3-10(17)4-8-12/h1-8,14H,(H3,18,19,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12Cl2N2O4
Molecular Weight 354.02
AlogP 4.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 95.13
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 38647-79-9
NORMAN SUSDAT
FDA SRS K0T77AAY7G