Molecule

ID:59440

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClNO
Molecular Mass
220.45112
Exact Mass
218.9086534
Charge
0
InChI
InChI=1S/C6H3BrClNO/c7-5-2-9-6(8)1-4(5)3-10/h1-3H
InChIKey
MAGFXBKNQAAQQA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ncc1Br
Isomeric Smiles
c1(cc(c(cn1)Br)C=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0610502
LogD (pH = 7.4)
2.0610502
Log P
2.0610502
Molar Refractivity
43.974
Polarizability
16.316263
Polar Surface Area
29.96
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