Molecule

ID:96063

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrClF₂NO
Molecular Mass
284.4852064
Exact Mass
282.92110991
Charge
0
InChI
InChI=1S/C8H5BrClF2NO/c9-4-1-6(12)7(2-5(4)11)13-8(14)3-10/h1-2H,3H2,(H,13,14)
InChIKey
LGPHIDXEBDSQNX-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c(cc1NC(=O)CCl)F
Isomeric Smiles
N(c1cc(c(cc1F)Br)F)C(=O)CCl
Calculated Properties
JChem
Acid pKa
11.274432
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.802456
LogD (pH = 7.4)
2.8024013
Log P
2.8024564
Molar Refractivity
53.7298
Polarizability
19.773317
Polar Surface Area
29.1
Rotatable Bonds
2
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