Molecule

ID:8862

General Information
Structure
MolImage
Molecular Formula
C₇H₈OS
Molecular Mass
140.20282
Exact Mass
140.02958588
Charge
0
InChI
InChI=1S/C7H8OS/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
InChIKey
FYWFCRHZXORPFH-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1S
Isomeric Smiles
c1ccc(c(c1)CO)S
Calculated Properties
JChem
Acid pKa
6.3117166
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.2392992
LogD (pH = 7.4)
0.34087902
Log P
1.2991033
Molar Refractivity
40.8837
Polarizability
15.826814
Polar Surface Area
20.23
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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