Molecule

ID:5315

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁O₃PS
Molecular Mass
170.167101
Exact Mass
170.01665184
Charge
0
InChI
InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
InChIKey
PKUWKAXTAVNIJR-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(OCC)O
Isomeric Smiles
OP(=S)(OCC)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
-1.03
LogD (pH = 5.5)
-0.85
Log P
1.34
Rotatable Bonds
4
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
2.86
Polar Surface Area
38.69
Polarizability
15.98
Molar Refractivity
41.10
LOG S
-0.99
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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