Example Mobile Reagents Compound Information


MOREid: 6782
FMLA: C8H7NaO4S
MWT: 222.194

CAS:

SMILES: [Na]OS(=O)(=O)CC(=O)c1ccccc1

InChi: InChI=1S/C8H8O4S.Na/c9-8(6-13(10,11)12)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11,12);/q;+1/p-1


Common name: sodium 2-oxo-2-phenylethanesulfonate
IUPAC name: sodium 2-oxo-2-phenylethane-1-sulfonate

Synonyms:

QR Code:
Vendor(s)
ARVI  
Descriptor(s)
Value
ALogP0.933
Aqueous Solubility [0:Extremelylow,1:VeryLow,2:Low,3:Good,4:Optimal,5:VeryHigh]4
Blood Brain Barrier Penetration [0:VeryHigh,1:High,2:Medium,3:Low,4:Unknown]3
Human Intestinal Absorption [0:Good,1:Moderate,2:Low,3:VeryLow]0
Molecular_PolarSurfaceArea68.81
Num_H_Acceptors4
Num_H_Donors0
Num_RotatableBonds4


Data extracted from the Eidogen-Sertanty Mobile Reagents Repository as of Tue Nov 29 20:41:11 EST 2011