Molecule

ID:85172

General Information
Structure
MolImage
Molecular Formula
C₆H₄O₂S
Molecular Mass
140.15976
Exact Mass
139.99320037
Charge
0
InChI
InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H
InChIKey
OTMRXENQDSQACG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)C=O
Isomeric Smiles
s1c(ccc1C=O)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4435713
LogD (pH = 7.4)
1.4435713
Log P
1.4435713
Molar Refractivity
35.9
Polarizability
12.86906
Polar Surface Area
34.14
Rotatable Bonds
2
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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