Molecule

ID:7941

General Information
Structure
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Molecular Formula
C₁₂H₁₀FNO₄S₂
Molecular Mass
315.3405032
Exact Mass
315.00352803
Charge
0
InChI
InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
InChIKey
RLKHFSNWQCZBDC-UHFFFAOYSA-N
Canonic Smiles
FN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Isomeric Smiles
c1cccc(c1)S(=O)(=O)N(F)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.652075
LogD (pH = 7.4)
2.652075
Log P
2.652075
Molar Refractivity
72.2331
Polarizability
29.161053
Polar Surface Area
71.52
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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