Molecule

ID:123325

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Br₃N
Molecular Mass
379.87334
Exact Mass
376.8050352
Charge
0
InChI
InChI=1S/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H
InChIKey
UDYYQHILRSDDMP-UHFFFAOYSA-N
Canonic Smiles
BrC(c1ccc2c(n1)cccc2)(Br)Br
Isomeric Smiles
C(c1nc2c(cc1)cccc2)(Br)(Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.464886
LogD (pH = 7.4)
4.4657664
Log P
4.4657774
Molar Refractivity
68.5109
Polarizability
27.193174
Polar Surface Area
12.89
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