Molecule

ID:55783

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Br₂N₂
Molecular Mass
305.9971
Exact Mass
303.92107233
Charge
0
InChI
InChI=1S/C9H9BrN2.BrH/c10-5-6-12-7-11-8-3-1-2-4-9(8)12;/h1-4,7H,5-6H2;1H
InChIKey
YBRCRDCVJYNGLL-UHFFFAOYSA-N
Canonic Smiles
BrCCn1cnc2c1cccc2.Br
Isomeric Smiles
n1cn(c2c1cccc2)CCBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0301752
LogD (pH = 7.4)
2.3268912
Log P
2.3331652
Molar Refractivity
52.192
Polarizability
20.848177
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