Molecule
ID:93761
General Information
Molecular Formula
C₇H₂BrClF₂O
Molecular Mass
255.4439864
Exact Mass
253.8945608
Charge
0
InChI
InChI=1S/C7H2BrClF2O/c8-4-2-6(11)5(10)1-3(4)7(9)12/h1-2H
InChIKey
UFZYNSSKIDMEDS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(F)c(cc1Br)F
Isomeric Smiles
ClC(=O)c1c(cc(c(c1)F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.218315
LogD (pH = 7.4)
3.218315
Log P
3.218315
Molar Refractivity
45.2283
Polarizability
16.850363
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...