Molecule

ID:10250

General Information
Structure
MolImage
Molecular Formula
C₉H₆BrNO
Molecular Mass
224.05404
Exact Mass
222.96327582
Charge
0
InChI
InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
InChIKey
AVMMSHZGFRWLRI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)c1ccno1
Isomeric Smiles
c1cnoc1c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6737678
LogD (pH = 7.4)
2.6737702
Log P
2.6737704
Molar Refractivity
50.1365
Polarizability
19.99417
Polar Surface Area
26.03
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