Molecule

ID:96105

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂
Molecular Mass
212.1711896
Exact Mass
212.05613289
Charge
0
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)8-3-4-14-7-9(8)15-5-1-2-6-15/h1-7H
InChIKey
ZEAIUKGVRIDJHL-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccncc1n1cccc1)(F)F
Isomeric Smiles
n1(c2cnccc2C(F)(F)F)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0166533
LogD (pH = 7.4)
2.130979
Log P
2.1327
Molar Refractivity
59.6272
Polarizability
18.478928
Polar Surface Area
17.82
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