Molecule

ID:68845

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrClO
Molecular Mass
207.45236
Exact Mass
205.91340443
Charge
0
InChI
InChI=1S/C6H4BrClO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
GMGWXLPFRHYWAS-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(Cl)cc(c1)Br
Isomeric Smiles
c1(cc(cc(c1)Cl)Br)O
Calculated Properties
JChem
Acid pKa
8.140358
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0414913
LogD (pH = 7.4)
2.9704437
Log P
3.0424778
Molar Refractivity
40.4665
Polarizability
15.772267
Polar Surface Area
20.23
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