Molecule

ID:73670

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂ClN
Molecular Mass
285.36366
Exact Mass
282.83990081
Charge
0
InChI
InChI=1S/C6H4Br2ClN/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
InChIKey
PFKZKCIYLRBYBZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1C)Br)Cl
Isomeric Smiles
n1c(c(c(c(c1)Br)C)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6307218
LogD (pH = 7.4)
3.6307218
Log P
3.6307218
Molar Refractivity
50.054
Polarizability
19.211678
Polar Surface Area
12.89
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