Molecule

ID:9260

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrF₃N
Molecular Mass
284.1161296
Exact Mass
283.01834608
Charge
0
InChI
InChI=1S/C10H13F3N.BrH/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKey
KPFRXMSETZXGKJ-UHFFFAOYSA-M
Canonic Smiles
FC(c1cccc(c1)[N+](C)(C)C)(F)F.[Br-]
Isomeric Smiles
c1cc(cc(c1)[N+](C)(C)C)C(F)(F)F.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.0892015
LogD (pH = 7.4)
-1.0892015
Log P
-1.0892015
Molar Refractivity
61.653
Polarizability
18.341375
Polar Surface Area
0.0
Rotatable Bonds
2
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