Molecule

ID:90138

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrClN
Molecular Mass
220.49418
Exact Mass
218.94503891
Charge
0
InChI
InChI=1S/C7H7BrClN/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,10H2,1H3
InChIKey
ULCBEYQOSOVMMA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(N)c(cc1C)Br
Isomeric Smiles
Nc1cc(c(cc1Br)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.02957
LogD (pH = 7.4)
3.0305264
Log P
3.0305386
Molar Refractivity
48.2272
Polarizability
17.97731
Polar Surface Area
26.02
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