Molecule

ID:113223

General Information
Structure
MolImage
Molecular Formula
C₉H₆BrNO₂
Molecular Mass
240.05344
Exact Mass
238.95819044
Charge
0
InChI
InChI=1S/C9H6BrNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
InChIKey
GEEDYJPPYNIZLX-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(=O)C(=O)N2C
Isomeric Smiles
C1(=O)N(c2c(C1=O)cc(cc2)Br)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5843623
LogD (pH = 7.4)
1.5843623
Log P
1.5843623
Molar Refractivity
51.2137
Polarizability
19.304958
Polar Surface Area
37.38
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