Structure

InChI Key NHTGHBARYWONDQ-UHFFFAOYSA-N
Smile CC(N)(Cc1ccc(O)cc1)C(=O)O
InChI
InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13NO3
Molecular Weight 195.22
AlogP 0.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 83.55
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 14.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1330596
FDA SRS X88TTO174Z
Guide to Pharmacology 5094
SureChEMBL SCHEMBL61871