Molecule

ID:22484

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FO₅S
Molecular Mass
310.2975432
Exact Mass
310.03112267
Charge
0
InChI
InChI=1S/C14H11FO5S/c1-21(18,19)13-8-10(15)5-6-12(13)20-11-4-2-3-9(7-11)14(16)17/h2-8H,1H3,(H,16,17)
InChIKey
VCLVEORXSHEWDT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)S(=O)(=O)C)Oc1cccc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1cc(ccc1)Oc1c(cc(cc1)F)S(=O)(=O)C)O
Calculated Properties
JChem
Acid pKa
3.8231115
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.43424955
LogD (pH = 7.4)
-1.1374898
Log P
2.1141264
Molar Refractivity
73.775
Polarizability
28.754313
Polar Surface Area
80.67
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
No Data Available
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Molecule Details
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References
Bioactivity
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