Molecule

ID:63267

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrN₂O
Molecular Mass
203.03658
Exact Mass
201.97417485
Charge
0
InChI
InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3
InChIKey
KRUDZWOELKQDJW-UHFFFAOYSA-N
Canonic Smiles
Brc1cn(C)c(=O)c(c1)N
Isomeric Smiles
c1c(cc(c(=O)n1C)N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.029833512
LogD (pH = 7.4)
0.029837044
Log P
0.029837089
Molar Refractivity
44.1011
Polarizability
15.805457
Polar Surface Area
46.33
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