Molecule

ID:77216

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀OS
Molecular Mass
190.2615
Exact Mass
190.04523594
Charge
0
InChI
InChI=1S/C11H10OS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7,12H,8H2
InChIKey
IUULMJAEIKVTKZ-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1c1cccs1
Isomeric Smiles
s1c(ccc1)c1ccccc1CO
Calculated Properties
JChem
Acid pKa
15.104806
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6302695
LogD (pH = 7.4)
2.6302695
Log P
2.6302695
Molar Refractivity
54.9
Polarizability
22.416702
Polar Surface Area
20.23
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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