Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6WIZ27OUZ9

Structure

InChI Key PAXWQORCRCBOCU-LURJTMIESA-N
Smile N[C@@H](Cc1cc(O)c(O)cc1F)C(=O)O
InChI
InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/t6-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10FNO4
Molecular Weight 215.18
AlogP 0.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 103.78
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEBI 49163
ChEMBL CHEMBL3547132
EPA CompTox DTXSID90226257
FDA SRS 6WIZ27OUZ9
PubChem 107730
SureChEMBL SCHEMBL245794
ZINC ZINC000001482068