Molecule
ID:12007
General Information
Molecular Formula
C₄H₅F₃O
Molecular Mass
126.0771096
Exact Mass
126.02924944
Charge
0
InChI
InChI=1S/C4H5F3O/c1-8-3-2-4(5,6)7/h2-3H,1H3/b3-2-
InChIKey
BGHDVJGMEWAMPO-IHWYPQMZSA-N
Canonic Smiles
CO/C=C\C(F)(F)F
Isomeric Smiles
C(=C\C(F)(F)F)\OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.380286
LogD (pH = 7.4)
1.380286
Log P
1.380286
Molar Refractivity
23.3107
Polarizability
8.2021885
Polar Surface Area
9.23
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...