Molecule

ID:9715

General Information
Structure
Molecular Formula
C₄F₄O₃
Molecular Mass
172.0346128
Exact Mass
171.97835674
Charge
0
InChI
InChI=1S/C4F4O3/c5-3(6)1(9)11-2(10)4(3,7)8
InChIKey
ZLVLNNCBGQYRAB-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C(C1(F)F)(F)F
Isomeric Smiles
C1(C(C(=O)OC1=O)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2717059
LogD (pH = 7.4)
1.2717059
Log P
1.2717059
Molar Refractivity
20.5692
Polarizability
8.504695
Polar Surface Area
43.37
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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