Molecule

ID:43314

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈BrF₃N₂O₂
Molecular Mass
337.0926296
Exact Mass
335.97212417
Charge
0
InChI
InChI=1S/C11H8BrF3N2O2/c1-2-19-10(18)7-8(11(13,14)15)16-9-6(12)4-3-5-17(7)9/h3-5H,2H2,1H3
InChIKey
JQHNAZOKLOJAAT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(nc2n1cccc2Br)C(F)(F)F
Isomeric Smiles
c1(c(n2c(n1)c(ccc2)Br)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.072267
LogD (pH = 7.4)
3.0722866
Log P
3.0722868
Molar Refractivity
65.8123
Polarizability
24.016285
Polar Surface Area
43.6
Rotatable Bonds
4
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