Molecule

ID:68529

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂BrN
Molecular Mass
322.19858
Exact Mass
321.01531139
Charge
0
InChI
InChI=1S/C18H12BrN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H
InChIKey
KUBSCXXKQGDPPD-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c1ccccc1n2c1ccccc1
Isomeric Smiles
n1(c2ccc(cc2c2ccccc12)Br)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.741273
LogD (pH = 7.4)
5.741273
Log P
5.741273
Molar Refractivity
96.0886
Polarizability
35.986774
Polar Surface Area
4.93
Rotatable Bonds
1
Lipinski's Rule of Five
false
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