Molecule
ID:57975
General Information
Molecular Formula
C₇H₃Br₂ClO₂
Molecular Mass
314.35852
Exact Mass
311.81883102
Charge
0
InChI
InChI=1S/C7H3Br2ClO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey
AXIYETPARSBPQM-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(c(c1)C(=O)O)Cl
Isomeric Smiles
c1c(cc(c(c1C(=O)O)Cl)Br)Br
Calculated Properties
JChem
Acid pKa
2.8009596
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1323237
LogD (pH = 7.4)
0.2784089
Log P
3.7723787
Molar Refractivity
53.3646
Polarizability
20.78394
Polar Surface Area
37.3
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...