Molecule

ID:93488

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈F₂₄N₃O₆P₃
Molecular Mass
921.2349798
Exact Mass
921.00252248
Charge
0
InChI
InChI=1S/C18H18F24N3O6P3/c19-7(20)13(31,32)1-46-52(47-2-14(33,34)8(21)22)43-53(48-3-15(35,36)9(23)24,49-4-16(37,38)10(25)26)45-54(44-52,50-5-17(39,40)11(27)28)51-6-18(41,42)12(29)30/h7-12H,1-6H2
InChIKey
WAVNXLRSYAMQNY-UHFFFAOYSA-N
Canonic Smiles
FC(C(COP1(=NP(=NP(=N1)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)(F)F)F
Isomeric Smiles
N1=P(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)N=P(OCC(C(F)F)(F)F)(N=P1(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)OCC(F)(F)C(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.8479595
LogD (pH = 7.4)
6.8479605
Log P
6.8479605
Molar Refractivity
128.34
Polarizability
48.872005
Polar Surface Area
92.46
Rotatable Bonds
24
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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