Molecule

ID:64649

General Information
Structure
MolImage
Molecular Formula
C₉H₅BrClN
Molecular Mass
242.4997
Exact Mass
240.92938885
Charge
0
InChI
InChI=1S/C9H5BrClN/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChIKey
YXRDWUJAJLDABJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)ccc(n2)Cl
Isomeric Smiles
n1c2c(cc(cc2)Br)ccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7238743
LogD (pH = 7.4)
3.723875
Log P
3.723875
Molar Refractivity
53.4682
Polarizability
21.594332
Polar Surface Area
12.89
Rotatable Bonds
0
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