Molecule

ID:90919

General Information
Structure
MolImage
Molecular Formula
C₇H₈OS
Molecular Mass
140.20282
Exact Mass
140.02958588
Charge
0
InChI
InChI=1S/C7H8OS/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3
InChIKey
QSBBXKVGLJSGAJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(c(c1)C)C
Isomeric Smiles
s1c(cc(c1C)C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7579117
LogD (pH = 7.4)
2.7579117
Log P
2.7579117
Molar Refractivity
39.6294
Polarizability
14.416645
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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