Molecule

ID:9463

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₇O₂
Molecular Mass
228.0649424
Exact Mass
228.00212688
Charge
0
InChI
InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
InChIKey
MRPUVAKBXDBGJQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4561625
LogD (pH = 7.4)
2.4561625
Log P
2.4561625
Molar Refractivity
27.759
Polarizability
10.815337
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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