Molecule

ID:12431

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrFN
Molecular Mass
214.0344032
Exact Mass
212.95893939
Charge
0
InChI
InChI=1S/C8H5BrFN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKey
TZRRRWOVYVGRSL-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(F)c2c(c1)cc[nH]2
Isomeric Smiles
[nH]1ccc2cc(cc(c12)F)Br
Calculated Properties
JChem
Acid pKa
14.6862755
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.9834623
LogD (pH = 7.4)
2.9834623
Log P
2.9834623
Molar Refractivity
44.9837
Polarizability
17.98445
Polar Surface Area
15.79
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