Molecule

ID:74718

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂S
Molecular Mass
206.2609
Exact Mass
206.04015056
Charge
0
InChI
InChI=1S/C11H10O2S/c12-8-11-10(6-7-14-11)13-9-4-2-1-3-5-9/h1-7,12H,8H2
InChIKey
NEOWWJVXDHGUFW-UHFFFAOYSA-N
Canonic Smiles
OCc1sccc1Oc1ccccc1
Isomeric Smiles
s1c(c(cc1)Oc1ccccc1)CO
Calculated Properties
JChem
Acid pKa
14.286961
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6190646
LogD (pH = 7.4)
2.6190646
Log P
2.6190646
Molar Refractivity
56.0046
Polarizability
21.762445
Polar Surface Area
29.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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