Molecule
ID:86184
General Information
Molecular Formula
C₁₁H₁₀OS
Molecular Mass
190.2615
Exact Mass
190.04523594
Charge
0
InChI
InChI=1S/C11H10OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11-12H
InChIKey
AASDNBSTNIJBFZ-UHFFFAOYSA-N
Canonic Smiles
OC(c1cccs1)c1ccccc1
Isomeric Smiles
s1c(ccc1)C(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
13.33294
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9030175
LogD (pH = 7.4)
2.903017
Log P
2.9030175
Molar Refractivity
54.0466
Polarizability
21.02434
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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