Molecule

ID:98107

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClFN₂
Molecular Mass
249.4675232
Exact Mass
247.91521601
Charge
0
InChI
InChI=1S/C7H3BrClFN2/c8-4-2-6-3(1-5(4)10)7(9)12-11-6/h1-2H,(H,11,12)
InChIKey
CLYCEHXHPJNOCE-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2[nH]nc(c2cc1F)Cl
Isomeric Smiles
[nH]1c2cc(c(cc2c(n1)Cl)F)Br
Calculated Properties
JChem
Acid pKa
12.939326
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.031983
LogD (pH = 7.4)
3.031983
Log P
3.031984
Molar Refractivity
49.7784
Polarizability
19.240429
Polar Surface Area
28.68
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