Molecule

ID:68023

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrCl₂NO₂
Molecular Mass
270.89558
Exact Mass
268.86459567
Charge
0
InChI
InChI=1S/C6H2BrCl2NO2/c7-5-4(9)3(6(11)12)2(8)1-10-5/h1H,(H,11,12)
InChIKey
DSKHVZJZZXHWPU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(Cl)cnc(c1Cl)Br
Isomeric Smiles
C(=O)(c1c(cnc(c1Cl)Br)Cl)O
Calculated Properties
JChem
Acid pKa
3.3520575
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4621757
LogD (pH = 7.4)
-0.81902266
Log P
2.5955203
Molar Refractivity
49.2319
Polarizability
18.967072
Polar Surface Area
50.19
Rotatable Bonds
1
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