Molecule
ID:100283
General Information
Molecular Formula
C₇H₃BrClFO
Molecular Mass
237.4535232
Exact Mass
235.90398262
Charge
0
InChI
InChI=1S/C7H3BrClFO/c8-5-3-1-2-4(6(5)10)7(9)11/h1-3H
InChIKey
MCRKBWVSQZTERQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc(c1F)Br
Isomeric Smiles
ClC(=O)c1c(c(ccc1)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.075613
LogD (pH = 7.4)
3.075613
Log P
3.075613
Molar Refractivity
45.0119
Polarizability
16.919235
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...