Molecule

ID:77555

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₃O₄P
Molecular Mass
356.436681
Exact Mass
356.21164617
Charge
0
InChI
InChI=1S/C19H33O4P/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3
InChIKey
GJDRKHHGPHLVNI-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCC
Isomeric Smiles
Oc1c(cc(cc1C(C)(C)C)CP(=O)(OCC)OCC)C(C)(C)C
Calculated Properties
JChem
Acid pKa
10.742183
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.2385607
LogD (pH = 7.4)
5.238366
Log P
5.238563
Molar Refractivity
99.6889
Polarizability
39.374794
Polar Surface Area
55.76
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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