Molecule

ID:96040

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈BrF₆NO
Molecular Mass
364.0817392
Exact Mass
362.9693452
Charge
0
InChI
InChI=1S/C11H8BrF6NO/c12-2-1-9(20)19-8-4-6(10(13,14)15)3-7(5-8)11(16,17)18/h3-5H,1-2H2,(H,19,20)
InChIKey
JJWRZHWMAVBMMC-UHFFFAOYSA-N
Canonic Smiles
BrCCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCBr
Calculated Properties
JChem
Acid pKa
13.674398
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9265049
LogD (pH = 7.4)
3.9265049
Log P
3.9265049
Molar Refractivity
65.3045
Polarizability
22.973984
Polar Surface Area
29.1
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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