Molecule

ID:93574

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₉O₂
Molecular Mass
366.1791088
Exact Mass
366.03023344
Charge
0
InChI
InChI=1S/C13H7F9O2/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(24)6-8(23)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
MYWBHGPUNSBHHA-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)c1ccccc1
Isomeric Smiles
O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
1.5791477
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8759514
LogD (pH = 7.4)
1.8038945
Log P
4.9870043
Molar Refractivity
61.3702
Polarizability
22.448448
Polar Surface Area
34.14
Rotatable Bonds
7
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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