Molecule

ID:8791

General Information
Structure
MolImage
Molecular Formula
C₇H₈OS
Molecular Mass
140.20282
Exact Mass
140.02958588
Charge
0
InChI
InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
InChIKey
MFPZQZZWAMAHOY-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1cccs1
Isomeric Smiles
c1(sccc1)C(=O)CC
Calculated Properties
JChem
Acid pKa
15.544874
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1443105
LogD (pH = 7.4)
2.1443105
Log P
2.1443105
Molar Refractivity
37.9776
Polarizability
14.576444
Polar Surface Area
17.07
Rotatable Bonds
2
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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