Molecule

ID:91122

General Information
Structure
MolImage
Molecular Formula
C₅H₆OS
Molecular Mass
114.16554
Exact Mass
114.01393581
Charge
0
InChI
InChI=1S/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H3
InChIKey
RFSKGCVUDQRZSD-UHFFFAOYSA-N
Canonic Smiles
COc1cscc1
Isomeric Smiles
s1ccc(c1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5960165
LogD (pH = 7.4)
1.5960165
Log P
1.5960165
Molar Refractivity
29.627
Polarizability
11.502066
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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