Molecule

ID:79367

General Information
Structure
Molecular Formula
C₁₀H₆O₂S₂
Molecular Mass
222.28344
Exact Mass
221.98092143
Charge
0
InChI
InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H
InChIKey
UNWKVSDABPCZMK-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)c1cccs1)c1cccs1
Isomeric Smiles
s1c(ccc1)C(=O)C(=O)c1cccs1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0704892
LogD (pH = 7.4)
3.0704892
Log P
3.0704892
Molar Refractivity
55.8526
Polarizability
21.106256
Polar Surface Area
34.14
Rotatable Bonds
3
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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