Molecule

ID:8257

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅F₁₇O₂
Molecular Mass
492.1290544
Exact Mass
492.00180914
Charge
0
InChI
InChI=1S/C11H5F17O2/c1-2-30-3(29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H2,1H3
InChIKey
DRLDSHOYANTUND-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.316184
LogD (pH = 7.4)
6.316184
Log P
6.316184
Molar Refractivity
55.8476
Polarizability
21.945248
Polar Surface Area
26.3
Rotatable Bonds
10
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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