Molecule

ID:44393

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrClF₃N₂
Molecular Mass
299.4750296
Exact Mass
297.91202245
Charge
0
InChI
InChI=1S/C8H3BrClF3N2/c1-3-6(9)5(8(11,12)13)4(2-14)7(10)15-3/h1H3
InChIKey
XLXFMVBEEQECPA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nc(c(c1C(F)(F)F)Br)C
Isomeric Smiles
c1(c(c(nc(c1C#N)Cl)C)Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2138627
LogD (pH = 7.4)
3.2138627
Log P
3.2138627
Molar Refractivity
53.6768
Polarizability
19.572626
Polar Surface Area
36.68
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