Molecule

ID:33695

General Information
Structure
MolImage
Molecular Formula
C₆H₉BrN₂
Molecular Mass
189.05306
Exact Mass
187.9949103
Charge
0
InChI
InChI=1S/C6H9BrN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3
InChIKey
UNTQXOJGXGRHMG-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1Br)C)C
Isomeric Smiles
n1n(c(c(c1C)Br)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4999391
LogD (pH = 7.4)
1.5007793
Log P
1.50079
Molar Refractivity
52.3254
Polarizability
15.318815
Polar Surface Area
17.82
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