Molecule

ID:61492

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrClN₂
Molecular Mass
243.48776
Exact Mass
241.92463782
Charge
0
InChI
InChI=1S/C8H4BrClN2/c9-6-4-12-8(10)5-2-1-3-11-7(5)6/h1-4H
InChIKey
LAJYLYMBZVFAEY-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c2c1nccc2)Cl
Isomeric Smiles
c1ccc2c(n1)c(cnc2Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.506064
LogD (pH = 7.4)
2.5062008
Log P
2.5062025
Molar Refractivity
51.3113
Polarizability
20.784561
Polar Surface Area
25.78
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