Molecule
ID:98998
General Information
Molecular Formula
C₄H₄F₄O
Molecular Mass
144.0675728
Exact Mass
144.01982763
Charge
0
InChI
InChI=1S/C4H4F4O/c5-3(2-9)1-4(6,7)8/h1,9H,2H2
InChIKey
GYJBBVSZSOKWLC-UHFFFAOYSA-N
Canonic Smiles
OC/C(=C/C(F)(F)F)/F
Isomeric Smiles
FC(/C=C(\F)/CO)(F)F
Calculated Properties
JChem
Acid pKa
13.89107
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7391552
LogD (pH = 7.4)
0.73915505
Log P
0.7391552
Molar Refractivity
24.1578
Polarizability
8.204857
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...