Molecule

ID:9774

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₁₄O₄
Molecular Mass
468.1405848
Exact Mass
468.00425375
Charge
0
InChI
InChI=1S/C11H6F14O4/c1-28-3(26)5(12,13)7(16,17)9(20,21)11(24,25)10(22,23)8(18,19)6(14,15)4(27)29-2/h1-2H3
InChIKey
HJMVOOGDJCOYSL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(OC)C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9325356
LogD (pH = 7.4)
4.9325356
Log P
4.9325356
Molar Refractivity
56.6528
Polarizability
22.650269
Polar Surface Area
52.6
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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