Molecule

ID:99274

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₄N₂
Molecular Mass
180.1029728
Exact Mass
180.03106102
Charge
0
InChI
InChI=1S/C6H4F4N2/c7-2-1-3(8)5(10)6(12-11)4(2)9/h1,12H,11H2
InChIKey
TYMFVEOXNZYYTF-UHFFFAOYSA-N
Canonic Smiles
NNc1c(F)c(F)cc(c1F)F
Isomeric Smiles
N(c1c(c(cc(c1F)F)F)F)N
Calculated Properties
JChem
Acid pKa
11.54618
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9123622
LogD (pH = 7.4)
1.935364
Log P
1.9356961
Molar Refractivity
36.6303
Polarizability
12.163938
Polar Surface Area
38.05
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