Molecule

ID:67700

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃S₂
Molecular Mass
254.3253
Exact Mass
254.00713618
Charge
0
InChI
InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3
InChIKey
SYHWYWHVEQQDMO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1cccs1)(c1cccs1)O
Isomeric Smiles
C(=O)(C(O)(c1cccs1)c1cccs1)OC
Calculated Properties
JChem
Acid pKa
10.353632
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.529198
LogD (pH = 7.4)
2.5287213
Log P
2.529204
Molar Refractivity
62.031
Polarizability
24.2156
Polar Surface Area
46.53
Rotatable Bonds
4
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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