Molecule

ID:66211

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₄N
Molecular Mass
165.0883328
Exact Mass
165.02016198
Charge
0
InChI
InChI=1S/C6H3F4N/c7-4-2-1-3(5(8)9)6(10)11-4/h1-2,5H
InChIKey
IKYICBXGNVGTRX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(n1)F)C(F)F
Isomeric Smiles
c1(c(ccc(n1)F)C(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2179265
LogD (pH = 7.4)
2.2179265
Log P
2.2179265
Molar Refractivity
31.4473
Polarizability
10.648613
Polar Surface Area
12.89
Rotatable Bonds
1
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