Molecule

ID:128686

General Information
Structure
MolImage
Molecular Formula
C₃H₉O₂PS
Molecular Mass
140.141121
Exact Mass
140.00608716
Charge
0
InChI
InChI=1S/C3H9O2PS/c1-3-5-6(2,4)7/h3H2,1-2H3,(H,4,7)
InChIKey
XXNRHOAJIUSMOQ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(O)C
Isomeric Smiles
S=P(O)(OCC)C
Calculated Properties
JChem
Acid pKa
3.7219326
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.166773
LogD (pH = 7.4)
-1.7822114
Log P
0.5056515
Molar Refractivity
34.3998
Polarizability
14.079449
Polar Surface Area
29.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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