Molecule

ID:8638

General Information
Structure
MolImage
Molecular Formula
C₇H₈OS
Molecular Mass
140.20282
Exact Mass
140.02958588
Charge
0
InChI
InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKey
QASBCTGZKABPKX-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)O
Isomeric Smiles
S(C)c1ccc(cc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.29
LogD (pH = 5.5)
2.30
Log P
2.30
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.42
Polar Surface Area
20.23
Polarizability
14.88
Molar Refractivity
40.80
LOG S
-1.73
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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