Molecule

ID:67759

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrN₂
Molecular Mass
187.03718
Exact Mass
185.97926023
Charge
0
InChI
InChI=1S/C6H7BrN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
InChIKey
AMCICDDTKARWJB-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)Br
Isomeric Smiles
NCc1cnc(cc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0759706
LogD (pH = 7.4)
-0.8445186
Log P
0.85561645
Molar Refractivity
40.8395
Polarizability
15.65758
Polar Surface Area
38.91
Rotatable Bonds
1
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
暂无数据
点击上传数据
References
Bioactivity
Navigation