Molecule

ID:87284

General Information
Structure
MolImage
Molecular Formula
C₇H₈OS
Molecular Mass
140.20282
Exact Mass
140.02958588
Charge
0
InChI
InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
JXTGICXCHWMCPM-UHFFFAOYSA-N
Canonic Smiles
CS(=O)c1ccccc1
Isomeric Smiles
S(=O)(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
19.369268
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.70666045
LogD (pH = 7.4)
0.70666045
Log P
0.70666045
Molar Refractivity
40.4196
Polarizability
15.766749
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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