Molecule

ID:51549

General Information
Structure
Loading...
Molecular Formula
C₇H₃BrClN₃
Molecular Mass
244.47582
Exact Mass
242.91988679
Charge
0
InChI
InChI=1S/C7H3BrClN3/c8-4-1-5-6(10-2-4)7(9)12-3-11-5/h1-3H
InChIKey
POZFSLLRNAMHBC-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)ncnc2Cl
Isomeric Smiles
c1(cnc2c(c1)ncnc2Cl)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.186012
LogD (pH = 7.4)
2.1862123
Log P
2.186215
Molar Refractivity
49.7605
Polarizability
19.989315
Polar Surface Area
38.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...