Molecule

ID:87443

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈BrNO
Molecular Mass
262.10202
Exact Mass
260.97892588
Charge
0
InChI
InChI=1S/C12H8BrNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-8H
InChIKey
POFGJNGSSAQRCE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnccc1c1ccc(cc1)Br
Isomeric Smiles
n1ccc(c(c1)C=O)c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8649852
LogD (pH = 7.4)
2.8838072
Log P
2.8840537
Molar Refractivity
63.2441
Polarizability
24.95061
Polar Surface Area
29.96
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