Molecule

ID:97708

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₂N₂
Molecular Mass
194.1807264
Exact Mass
194.06555471
Charge
0
InChI
InChI=1S/C10H8F2N2/c11-10(12)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6,10H,(H,13,14)
InChIKey
XLSJJOUDHYYMBG-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc([nH]n1)c1ccccc1)F
Isomeric Smiles
[nH]1nc(cc1c1ccccc1)C(F)F
Calculated Properties
JChem
Acid pKa
13.018053
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3906937
LogD (pH = 7.4)
2.3906994
Log P
2.3907003
Molar Refractivity
49.4894
Polarizability
19.294138
Polar Surface Area
28.68
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