Molecule

ID:88448

General Information
Structure
MolImage
Molecular Formula
C₉H₇BrO
Molecular Mass
211.05528
Exact Mass
209.96802684
Charge
0
InChI
InChI=1S/C9H7BrO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3H,4-5H2
InChIKey
JQBSSMBLVVTRKJ-UHFFFAOYSA-N
Canonic Smiles
O=C1Cc2c(C1)cc(cc2)Br
Isomeric Smiles
O=C1Cc2cc(ccc2C1)Br
Calculated Properties
JChem
Acid pKa
14.479797
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5704663
LogD (pH = 7.4)
2.5704663
Log P
2.5704663
Molar Refractivity
47.2034
Polarizability
17.988705
Polar Surface Area
17.07
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