Molecule

ID:68559

General Information
Structure
MolImage
Molecular Formula
C₇H₈OS
Molecular Mass
140.20282
Exact Mass
140.02958588
Charge
0
InChI
InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChIKey
YOSDTJYMDAEEAZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)C(=O)C
Isomeric Smiles
c1(ccc(s1)C)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.09
LogD (pH = 5.5)
2.09
Log P
2.09
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.16
Polar Surface Area
17.07
Polarizability
14.87
Molar Refractivity
38.41
LOG S
-2.26
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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