Molecule

ID:80682

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrN₂
Molecular Mass
237.09586
Exact Mass
235.9949103
Charge
0
InChI
InChI=1S/C10H9BrN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2
InChIKey
PHNRBSHOFSWNII-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)n1cccn1
Isomeric Smiles
n1(c2ccc(cc2)CBr)nccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8317444
LogD (pH = 7.4)
2.831801
Log P
2.8318017
Molar Refractivity
57.2701
Polarizability
21.856667
Polar Surface Area
17.82
Rotatable Bonds
2
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