Molecule

ID:29883

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₄
Molecular Mass
204.1641328
Exact Mass
204.05621314
Charge
0
InChI
InChI=1S/C10H8F4/c1-6(2)7-3-4-9(11)8(5-7)10(12,13)14/h3-5H,1H2,2H3
InChIKey
CLCIOWVMAJVXQC-UHFFFAOYSA-N
Canonic Smiles
CC(=C)c1ccc(c(c1)C(F)(F)F)F
Isomeric Smiles
c1(c(cc(cc1)C(=C)C)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.029893
LogD (pH = 7.4)
4.029893
Log P
4.029893
Molar Refractivity
46.2164
Polarizability
16.535212
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation