Structure

InChI Key OAPDLBHLMVYMCW-UHFFFAOYSA-M
Smiles CC(C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1.[Na+]
InChI
InChI=1S/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H13NaO3
Molecular Weight 276.27
AlogP 3.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 54.37
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Cross References

Resources Reference
ChEMBL CHEMBL341922
FDA SRS 5R10M39KS7
PubChem 23684815
SureChEMBL SCHEMBL3042541