Molecule

ID:9551

General Information
Structure
MolImage
Molecular Formula
C₆F₄O₂
Molecular Mass
180.0566128
Exact Mass
179.98344212
Charge
0
InChI
InChI=1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKey
JKLYZOGJWVAIQS-UHFFFAOYSA-N
Canonic Smiles
FC1=C(F)C(=O)C(=C(C1=O)F)F
Isomeric Smiles
O=C1C(=C(F)C(=O)C(=C1F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.73455215
LogD (pH = 7.4)
0.73455215
Log P
0.73455215
Molar Refractivity
31.8404
Polarizability
10.516327
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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