Molecule
ID:110266
General Information
Molecular Formula
C₈H₁₉O₄P
Molecular Mass
210.207821
Exact Mass
210.10209572
Charge
0
InChI
InChI=1S/C8H19O4P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h8-9H,4-7H2,1-3H3
InChIKey
QGNCNQNIDOVSQB-UHFFFAOYSA-N
Canonic Smiles
CCCC(P(=O)(OCC)OCC)O
Isomeric Smiles
CCCC(O)P(=O)(OCC)OCC
Calculated Properties
JChem
Acid pKa
12.439092
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3089329
LogD (pH = 7.4)
1.308929
Log P
1.308933
Molar Refractivity
51.1185
Polarizability
20.828228
Polar Surface Area
55.76
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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