Molecule

ID:95489

General Information
Structure
Molecular Formula
C₁₄H₂₆F₃O₆P
Molecular Mass
378.3216106
Exact Mass
378.14190984
Charge
0
InChI
InChI=1S/C14H26F3O6P/c1-10(2)6-8-21-24(19,22-9-7-11(3)4)23-12(13(18)20-5)14(15,16)17/h10-12H,6-9H2,1-5H3
InChIKey
IIRNAJFYLMYZSO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)OP(=O)(OCCC(C)C)OCCC(C)C
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OC)(OCCC(C)C)OCCC(C)C
Calculated Properties
JChem
Acid pKa
13.486888
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1265445
LogD (pH = 7.4)
4.126544
Log P
4.1265445
Molar Refractivity
80.9923
Polarizability
32.252747
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
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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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