Molecule

ID:39628

General Information
Structure
Molecular Formula
C₁₄H₁₂FNO₄S
Molecular Mass
309.3127832
Exact Mass
309.04710709
Charge
0
InChI
InChI=1S/C14H12FNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)
InChIKey
RDYJUVZFLCNBPH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)c1ccccc1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.0228932
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.08162166
LogD (pH = 7.4)
-1.1135027
Log P
2.3600674
Molar Refractivity
73.7715
Polarizability
29.151714
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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