Molecule
ID:75752
General Information
Molecular Formula
C₇H₃BrCl₂O₂
Molecular Mass
269.90752
Exact Mass
267.8693467
Charge
0
InChI
InChI=1S/C7H3BrCl2O2/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,(H,11,12)
InChIKey
OCILIDFQDDWNEN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1Cl)Br)Cl
Isomeric Smiles
Clc1c(ccc(c1Br)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9737637
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1212435
LogD (pH = 7.4)
0.13004628
Log P
3.6076708
Molar Refractivity
50.5466
Polarizability
19.648365
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...