Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: P6VBV68WPV

Structure

InChI Key QZZYPHBVOQMBAT-JTQLQIEISA-N
Smile N[C@@H](Cc1ccc(OCCF)cc1)C(=O)O
InChI
InChI=1S/C11H14FNO3/c12-5-6-16-9-3-1-8(2-4-9)7-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14FNO3
Molecular Weight 227.24
AlogP 0.99
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 72.55
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
ChEMBL CHEMBL1908892
FDA SRS P6VBV68WPV
SureChEMBL SCHEMBL19096361
ZINC ZINC000006535747