Molecule

ID:76581

General Information
Structure
MolImage
Molecular Formula
C₆H₄O₂S
Molecular Mass
140.15976
Exact Mass
139.99320037
Charge
0
InChI
InChI=1S/C6H4O2S/c7-2-5-1-6(3-8)9-4-5/h1-4H
InChIKey
JJUMWUDQTQMMGT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1scc(c1)C=O
Isomeric Smiles
s1c(cc(c1)C=O)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3111318
LogD (pH = 7.4)
1.3111318
Log P
1.3111318
Molar Refractivity
36.1159
Polarizability
12.865667
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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