Molecule

ID:54413

General Information
Structure
MolImage
Molecular Formula
C₅H₃Br₂ClN₂
Molecular Mass
286.35172
Exact Mass
283.83514979
Charge
0
InChI
InChI=1S/C5H3Br2ClN2/c6-2-1-3(8)10-5(7)4(2)9/h1H,9H2
InChIKey
LXCKKZBYYPOUDA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Br)c(c(n1)Br)N
Isomeric Smiles
c1c(nc(c(c1Br)N)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4938965
LogD (pH = 7.4)
2.4938965
Log P
2.4938965
Molar Refractivity
50.5554
Polarizability
18.722586
Polar Surface Area
38.91
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
References
Bioactivity
Navigation