Synonyms
Status
Molecule Category Free-form
UNII 89741L759Z
EPA CompTox DTXSID0042244

Structure

InChI Key LGCMKPRGGJRYGM-UHFFFAOYSA-N
Smiles O=C(Nc1ccc(O)cc1)c1ccccc1O
InChI
InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11NO3
Molecular Weight 229.24
AlogP 2.35
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 2.0
Heavy Atoms 17.0

Related Entries

Cross References

Resources Reference
CAS NUMBER 526-18-1
ChEBI 31938
ChEMBL CHEMBL389507
DrugBank DB16273
DrugCentral 2000
FDA SRS 89741L759Z
PubChem 4602
SureChEMBL SCHEMBL220088
ZINC ZINC000000001856