Molecule

ID:74937

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅O₃PS
Molecular Mass
198.220261
Exact Mass
198.04795197
Charge
0
InChI
InChI=1S/C6H15O3PS/c1-4-8-10(7,6-11-3)9-5-2/h4-6H2,1-3H3
InChIKey
RAABCCZMKIIGJW-UHFFFAOYSA-N
Canonic Smiles
CSCP(=O)(OCC)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)CSC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4758683
LogD (pH = 7.4)
1.4758683
Log P
1.4758683
Molar Refractivity
47.8302
Polarizability
19.572088
Polar Surface Area
35.53
Rotatable Bonds
6
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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