Molecule

ID:113292

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₄FO₄P
Molecular Mass
482.6080242
Exact Mass
482.29612474
Charge
0
InChI
InChI=1S/C27H44FO4P/c1-17(2)21-13-11-19(5)15-25(21)31-33(30,27(29)23-9-7-8-10-24(23)28)32-26-16-20(6)12-14-22(26)18(3)4/h7-10,17-22,25-27,29H,11-16H2,1-6H3
InChIKey
BTMZUQIPLOYBMO-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(C(C1)OP(=O)(C(c1ccccc1F)O)OC1CC(C)CCC1C(C)C)C(C)C
Isomeric Smiles
P(=O)(C(c1c(F)cccc1)O)(OC1C(CCC(C1)C)C(C)C)OC1C(CCC(C1)C)C(C)C
Calculated Properties
JChem
Acid pKa
11.451773
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.6471934
LogD (pH = 7.4)
7.647156
Log P
7.647194
Molar Refractivity
130.8343
Polarizability
52.47875
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
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Molecule Details
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References
Bioactivity
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