Molecule

ID:57914

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO₄S
Molecular Mass
247.2434032
Exact Mass
247.03145703
Charge
0
InChI
InChI=1S/C9H10FNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKey
UDQZLIWXZJFLPD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNS(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)F)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.24246
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5766836
LogD (pH = 7.4)
-2.7786882
Log P
0.6606506
Molar Refractivity
54.113
Polarizability
21.532661
Polar Surface Area
83.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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