Molecule

ID:93052

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₁₁O₂
Molecular Mass
380.1545152
Exact Mass
380.02703988
Charge
0
InChI
InChI=1S/C11H7F11O2/c1-4(2)5(23)24-3-6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1,3H2,2H3
InChIKey
DZZAHYHMWKNGLC-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
Isomeric Smiles
FC1(C(C(F)(F)C(C(C1(COC(=O)C(=C)C)F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8239393
LogD (pH = 7.4)
4.8239393
Log P
4.8239393
Molar Refractivity
51.9486
Polarizability
20.2879
Polar Surface Area
26.3
Rotatable Bonds
4
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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