Molecule

ID:8124

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇F₁₉O₂
Molecular Mass
568.1738408
Exact Mass
568.01426564
Charge
0
InChI
InChI=1S/C14H7F19O2/c1-4(2)5(34)35-3-6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)33/h1,3H2,2H3
InChIKey
NSSMHXVPVQADLY-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C(=O)OCC(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)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.8679633
LogD (pH = 7.4)
7.8679633
Log P
7.8679633
Molar Refractivity
69.2117
Polarizability
26.80522
Polar Surface Area
26.3
Rotatable Bonds
12
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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