Molecule

ID:64208

General Information
Structure
MolImage
Molecular Formula
C₃H₃BrN₂
Molecular Mass
146.97332
Exact Mass
145.94796011
Charge
0
InChI
InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey
FHZALEJIENDROK-UHFFFAOYSA-N
Canonic Smiles
Brc1c[nH]cn1
Isomeric Smiles
n1c(c[nH]c1)Br
Calculated Properties
JChem
Acid pKa
11.931663
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7433078
LogD (pH = 7.4)
0.8278235
Log P
0.8290504
Molar Refractivity
27.4778
Polarizability
10.216743
Polar Surface Area
28.68
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