Molecule

ID:98109

General Information
Structure
MolImage
Molecular Formula
C₈H₅Br₂FN₂
Molecular Mass
307.9451032
Exact Mass
305.88035039
Charge
0
InChI
InChI=1S/C8H5Br2FN2/c1-13-7-3-5(9)6(11)2-4(7)8(10)12-13/h2-3H,1H3
InChIKey
AKFXXKOJIJEJAC-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2n(C)nc(c2cc1F)Br
Isomeric Smiles
n1(c2cc(c(cc2c(n1)Br)F)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3057125
LogD (pH = 7.4)
3.305713
Log P
3.305713
Molar Refractivity
67.5933
Polarizability
22.050386
Polar Surface Area
17.82
Rotatable Bonds
0
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