Molecule

ID:9119

General Information
Structure
Molecular Formula
C₉H₇F₉O₂
Molecular Mass
318.1363088
Exact Mass
318.03023344
Charge
0
InChI
InChI=1S/C9H7F9O2/c1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2
InChIKey
GYUPEJSTJSFVRR-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C=C)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.239502
LogD (pH = 7.4)
4.239502
Log P
4.239502
Molar Refractivity
45.9664
Polarizability
17.377161
Polar Surface Area
26.3
Rotatable Bonds
8
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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