Molecule

ID:41553

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₂S
Molecular Mass
204.24502
Exact Mass
204.0245005
Charge
0
InChI
InChI=1S/C11H8O2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey
QGMFBCDNJUZQBZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(s1)c1ccccc1
Isomeric Smiles
s1c(ccc1c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3489401
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0513264
LogD (pH = 7.4)
-0.22762412
Log P
3.1876416
Molar Refractivity
55.1244
Polarizability
22.276373
Polar Surface Area
37.3
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
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Molecule Details
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References
Bioactivity
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