F9995-0720
Product ID: F9995-0720
Collection: Screening compounds, Building blocks
C13H10FNO4S
CAS RN885269-80-7FormulaC13H10FNO4SPurity95%+Statesolid
IUPAC name3-(3-fluorobenzenesulfonamido)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1
InChiInChI=1S/C13H10FNO4S/c14-10-4-2-6-12(8-10)20(18,19)15-11-5-1-3-9(7-11)13(16)17/h1-8,15H,(H,16,17)
InChi KeyNVLPATGVMWNAHA-UHFFFAOYSA-N
MW295.29 [46.07...1702.72]
radaChart
Fsp30 [0...1.00]
cLogP2.26 [-11.42...28.50]
cLogSw0 [-19.49...5.44]
TPSA83.47 [0...519.07]
HBD1 [0...10]
HBA5 [0...28]
ROTB3 [0...72]
AROM2 [0...16]
DL0.91 [0.02...0.95]
UA stock: 24789.26 mg
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