Molecule

ID:111408

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₅S₂
Molecular Mass
337.37084
Exact Mass
337.00786446
Charge
0
InChI
InChI=1S/C14H11NO5S2/c1-10-6-2-4-8-12(10)20-21(17)15-14(16)11-7-3-5-9-13(11)22(15,18)19/h2-9H,1H3
InChIKey
KZNJWYVSXKARPF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OS(=O)N1C(=O)c2c(S1(=O)=O)cccc2
Isomeric Smiles
Cc1ccccc1OS(=O)N1C(=O)c2c(cccc2)S1(=O)=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6157832
LogD (pH = 7.4)
2.6157832
Log P
2.6157832
Molar Refractivity
80.6587
Polarizability
32.303997
Polar Surface Area
80.75
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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