Molecule
ID:69004
General Information
Molecular Formula
C₈H₅BrFN
Molecular Mass
214.0344032
Exact Mass
212.95893939
Charge
0
InChI
InChI=1S/C8H5BrFN/c1-5-2-6(4-11)8(10)3-7(5)9/h2-3H,1H3
InChIKey
AVBKISZUVMWQIA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(C)c(cc1F)Br
Isomeric Smiles
C(#N)c1c(cc(c(c1)C)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2542179
LogD (pH = 7.4)
3.2542179
Log P
3.2542179
Molar Refractivity
44.66
Polarizability
16.541218
Polar Surface Area
23.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...