Molecule

ID:11048

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆FNO₄S
Molecular Mass
337.3659432
Exact Mass
337.07840722
Charge
0
InChI
InChI=1S/C16H16FNO4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(10-16(19)20)12-4-6-13(17)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKey
WOPSXEFXWDHPLJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccc(cc1)F)NS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(NC(CC(=O)O)c1ccc(cc1)F)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
3.638239
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0998514
LogD (pH = 7.4)
-0.37140027
Log P
2.9583123
Molar Refractivity
83.437
Polarizability
32.732506
Polar Surface Area
83.47
Rotatable Bonds
5
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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