Molecule

ID:66347

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉BrN₂
Molecular Mass
273.12796
Exact Mass
271.9949103
Charge
0
InChI
InChI=1S/C13H9BrN2/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H
InChIKey
OCVMHOYOAZUGSK-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)ncn2c1ccccc1
Isomeric Smiles
c1nc2c(n1c1ccccc1)ccc(c2)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.415777
LogD (pH = 7.4)
3.544436
Log P
3.5464
Molar Refractivity
77.5849
Polarizability
27.560934
Polar Surface Area
17.82
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