Molecule

ID:85378

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₃S₂
Molecular Mass
238.28284
Exact Mass
237.97583605
Charge
0
InChI
InChI=1S/C10H6O3S2/c11-9(7-3-1-5-14-7)13-10(12)8-4-2-6-15-8/h1-6H
InChIKey
BKBCDDYQJQGMNX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccs1)OC(=O)c1cccs1
Isomeric Smiles
O(C(=O)c1cccs1)C(=O)c1cccs1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6215923
LogD (pH = 7.4)
3.6215923
Log P
3.6215923
Molar Refractivity
57.2028
Polarizability
21.849888
Polar Surface Area
43.37
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
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Molecule Details
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References
Bioactivity
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