Molecule

ID:77612

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀OS₂
Molecular Mass
210.3158
Exact Mass
210.01730694
Charge
0
InChI
InChI=1S/C10H10OS2/c1-5-4-12-10-8(5)6(2)9(13-10)7(3)11/h4H,1-3H3
InChIKey
NZUPKEIODOWCDZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1sc2c(c1C)c(cs2)C
Isomeric Smiles
s1c2c(c(c1C(=O)C)C)c(cs2)C
Calculated Properties
JChem
Acid pKa
14.984179
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7019458
LogD (pH = 7.4)
3.7019458
Log P
3.7019458
Molar Refractivity
55.6977
Polarizability
21.767876
Polar Surface Area
17.07
Rotatable Bonds
1
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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