Molecule

ID:40912

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrN
Molecular Mass
222.08122
Exact Mass
220.98401126
Charge
0
InChI
InChI=1S/C10H8BrN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H
InChIKey
GFZKXLBCEOLJJH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1n1cccc1
Isomeric Smiles
n1(c2c(Br)cccc2)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3536
LogD (pH = 7.4)
3.3536
Log P
3.3536
Molar Refractivity
63.4332
Polarizability
20.993898
Polar Surface Area
4.93
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