Molecule

ID:90307

General Information
Structure
MolImage
Molecular Formula
C₅H₆OS
Molecular Mass
114.16554
Exact Mass
114.01393581
Charge
0
InChI
InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChIKey
ZPHGMBGIFODUMF-UHFFFAOYSA-N
Canonic Smiles
OCc1cccs1
Isomeric Smiles
s1c(ccc1)CO
Calculated Properties
JChem
Acid pKa
14.519799
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1187774
LogD (pH = 7.4)
1.1187774
Log P
1.1187774
Molar Refractivity
29.7638
Polarizability
11.452237
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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