Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: H030S2S85J

Structure

InChI Key HCZHHEIFKROPDY-UHFFFAOYSA-N
Smile O=C(O)c1cc(=O)c2ccccc2[nH]1
InChI
InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7NO3
Molecular Weight 189.17
AlogP 1.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 70.16
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 14.0

Pharmacology

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 18344
ChEMBL CHEMBL299155
DrugBank DB11937
EPA CompTox DTXSID8075417
FDA SRS H030S2S85J
Human Metabolome Database HMDB0000715
Guide to Pharmacology 2918
KEGG C01717
PDB KYA
SureChEMBL SCHEMBL22979
ZINC ZINC000008584773