Molecule

ID:87985

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀OS
Molecular Mass
190.2615
Exact Mass
190.04523594
Charge
0
InChI
InChI=1S/C11H10OS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-6,8,12H,7H2
InChIKey
VSWBZMMHNMDWJL-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)c1cscc1
Isomeric Smiles
s1ccc(c1)c1cc(ccc1)CO
Calculated Properties
JChem
Acid pKa
14.95814
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6335633
LogD (pH = 7.4)
2.6335633
Log P
2.6335633
Molar Refractivity
55.1159
Polarizability
22.408804
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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