Molecule

ID:82569

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₄S₂
Molecular Mass
256.29812
Exact Mass
255.98640074
Charge
0
InChI
InChI=1S/C10H8O4S2/c1-3-5-4(2)7(9(13)14)16-10(5)15-6(3)8(11)12/h1-2H3,(H,11,12)(H,13,14)
InChIKey
JARLNIWLMPUVAR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sc2c(c1C)c(c(s2)C(=O)O)C
Isomeric Smiles
s1c(c(c2c1sc(c2C)C(=O)O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.8305817
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0899945
LogD (pH = 7.4)
-3.3213527
Log P
3.5919034
Molar Refractivity
59.5914
Polarizability
22.902943
Polar Surface Area
74.6
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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