Molecule

ID:9930

General Information
Structure
MolImage
Molecular Formula
C₇H₈OS
Molecular Mass
140.20282
Exact Mass
140.02958588
Charge
0
InChI
InChI=1S/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey
SOOARYARZPXNAL-UHFFFAOYSA-N
Canonic Smiles
CSc1ccccc1O
Isomeric Smiles
c1ccc(c(c1)SC)O
Calculated Properties
JChem
Acid pKa
9.220107
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2978153
LogD (pH = 7.4)
2.2914171
Log P
2.2978976
Molar Refractivity
40.7978
Polarizability
15.823479
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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