IUPAC name
sodium 4-phenylbutanoate
SMILES
[Na+].[O-]C(=O)CCCC1=CC=CC=C1
Compound class
Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products;
Therapeutic area
Common name
Sodium phenylbutyrate
IUPAC name
sodium 4-phenylbutanoate
SMILES
[Na+].[O-]C(=O)CCCC1=CC=CC=C1
INCHI
InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1
FORMULA
C10H11NaO2
Common name
Sodium phenylbutyrate
IUPAC name
sodium 4-phenylbutanoate
Molecular weight
163.193
clogP
2.440
clogS
-2.845
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
40.13
Number of Rings
1
Rotatable Bond
4
