Molecule

ID:32536

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrClN₂
Molecular Mass
207.45566
Exact Mass
205.92463782
Charge
0
InChI
InChI=1S/C5H4BrClN2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
InChIKey
YCECOMBEVDPUJG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(n1)Cl)N
Isomeric Smiles
c1c(nc(c(c1)N)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7251439
LogD (pH = 7.4)
1.7251439
Log P
1.7251439
Molar Refractivity
42.9326
Polarizability
15.565242
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