Molecule

ID:73800

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Br
Molecular Mass
211.09834
Exact Mass
210.00441235
Charge
0
InChI
InChI=1S/C10H11Br/c1-8-5-3-4-6-10(8)7-9(2)11/h3-6H,2,7H2,1H3
InChIKey
GVNSEMKTHSNJNN-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)Cc1ccccc1C
Isomeric Smiles
BrC(=C)Cc1c(cccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8308015
LogD (pH = 7.4)
3.8308015
Log P
3.8308015
Molar Refractivity
53.0747
Polarizability
19.979471
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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