Molecule

ID:65199

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClN₃
Molecular Mass
232.46512
Exact Mass
230.91988679
Charge
0
InChI
InChI=1S/C6H3BrClN3/c7-4-3-9-6-2-1-5(8)10-11(4)6/h1-3H
InChIKey
PFHPKMPWBFJZEY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)c(Br)cn2
Isomeric Smiles
c1c(nn2c(c1)ncc2Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9459685
LogD (pH = 7.4)
1.9462984
Log P
1.9463025
Molar Refractivity
57.0445
Polarizability
17.434467
Polar Surface Area
30.19
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