Molecule

ID:127900

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉O₆PS₂
Molecular Mass
330.358021
Exact Mass
330.03606696
Charge
0
InChI
InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(13,14-3)18-4/h8H,5-7H2,1-4H3
InChIKey
LPQDGVLVYVULMX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C(=O)OCC)SP(=O)(SC)OC
Isomeric Smiles
CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)SC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.488182
LogD (pH = 7.4)
1.488182
Log P
1.488182
Molar Refractivity
76.7181
Polarizability
31.064367
Polar Surface Area
78.9
Rotatable Bonds
11
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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