Molecule

ID:22540

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O₄S₂
Molecular Mass
264.32188
Exact Mass
264.02384887
Charge
0
InChI
InChI=1S/C8H12N2O4S2/c1-15(11,12)6-3-4-7(10-9)8(5-6)16(2,13)14/h3-5,10H,9H2,1-2H3
InChIKey
PKDDCIXNDZLQGW-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Isomeric Smiles
N(N)c1c(cc(cc1)S(=O)(=O)C)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
13.236165
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.95869154
LogD (pH = 7.4)
-0.9548011
Log P
-0.9544945
Molar Refractivity
63.7719
Polarizability
24.961641
Polar Surface Area
106.33
Rotatable Bonds
3
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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