Molecule

ID:82522

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀OS
Molecular Mass
154.2294
Exact Mass
154.04523594
Charge
0
InChI
InChI=1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3
InChIKey
FEVALTJSQBFLEU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)C
Isomeric Smiles
S(=O)(c1ccc(cc1)C)C
Calculated Properties
JChem
Acid pKa
19.385902
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2200818
LogD (pH = 7.4)
1.2200818
Log P
1.2200818
Molar Refractivity
45.4608
Polarizability
17.532354
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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