Molecule

ID:8078

General Information
Structure
Molecular Formula
C₄H₄F₄O
Molecular Mass
144.0675728
Exact Mass
144.01982763
Charge
0
InChI
InChI=1S/C4H4F4O/c5-3(6)1-9-2-4(3,7)8/h1-2H2
InChIKey
HCVCNRFVUUDZOP-UHFFFAOYSA-N
Canonic Smiles
FC1(F)COCC1(F)F
Isomeric Smiles
C1(C(COC1)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3543099
LogD (pH = 7.4)
1.3543099
Log P
1.3543099
Molar Refractivity
20.3795
Polarizability
7.8910666
Polar Surface Area
9.23
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
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References
Bioactivity
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