Molecule

ID:42899

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrO
Molecular Mass
197.0287
Exact Mass
195.95237678
Charge
0
InChI
InChI=1S/C8H5BrO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChIKey
ICJNAOJPUTYWNV-UHFFFAOYSA-N
Canonic Smiles
Brc1coc2c1cccc2
Isomeric Smiles
c1(c2c(oc1)cccc2)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9011219
LogD (pH = 7.4)
2.9011219
Log P
2.9011219
Molar Refractivity
42.5219
Polarizability
17.434618
Polar Surface Area
13.14
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