Molecule

ID:89991

General Information
Structure
MolImage
Molecular Formula
C₇H₅Br₃
Molecular Mass
328.8266
Exact Mass
325.79413616
Charge
0
InChI
InChI=1S/C7H5Br3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
InChIKey
BFRIZWKDNUHPHL-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(c(c1)Br)C
Isomeric Smiles
Brc1cc(cc(c1C)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.792925
LogD (pH = 7.4)
4.792925
Log P
4.792925
Molar Refractivity
53.9676
Polarizability
21.060577
Polar Surface Area
0.0
Rotatable Bonds
0
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