Molecule

ID:103912

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅O₃PS
Molecular Mass
222.241661
Exact Mass
222.04795197
Charge
0
InChI
InChI=1S/C8H15O3PS/c1-7(2,3)8-4-9-12(13,10-5-8)11-6-8/h4-6H2,1-3H3
InChIKey
VTBHBNXGFPTBJL-UHFFFAOYSA-N
Canonic Smiles
CC(C12COP(=S)(OC1)OC2)(C)C
Isomeric Smiles
CC(C)(C)C12COP(=S)(OC1)OC2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1331987
LogD (pH = 7.4)
2.1331987
Log P
2.1331987
Molar Refractivity
54.8835
Polarizability
22.795197
Polar Surface Area
27.69
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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