Structure

InChI Key SJDACOMXKWHBOW-UHFFFAOYSA-N
Smile O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1
InChI
InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H15NO3
Molecular Weight 317.34
AlogP 3.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 69.56
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135358
ChEMBL CHEMBL245807
DrugBank DB04823
DrugCentral 2038
EPA CompTox DTXSID5044528
FDA SRS 3BT0VQG2GQ
SureChEMBL SCHEMBL239513
ZINC ZINC000004217234