Molecule

ID:75006

General Information
Structure
Molecular Formula
C₁₂H₂₈O₆P₂
Molecular Mass
330.294642
Exact Mass
330.13611188
Charge
0
InChI
InChI=1S/C12H28O6P2/c1-5-15-19(13,16-6-2)11-9-10-12-20(14,17-7-3)18-8-4/h5-12H2,1-4H3
InChIKey
RODFSBORIZJBLE-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(OCC)CCCCP(=O)(OCC)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)CCCCP(=O)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6027772
LogD (pH = 7.4)
1.6027772
Log P
1.6027772
Molar Refractivity
79.0682
Polarizability
32.29932
Polar Surface Area
71.06
Rotatable Bonds
13
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
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References
Bioactivity
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