Molecule

ID:87537

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrN₂O₂
Molecular Mass
202.99352
Exact Mass
201.93778935
Charge
0
InChI
InChI=1S/C5H3BrN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
InChIKey
AFVITJKRFRRQKT-UHFFFAOYSA-N
Canonic Smiles
Brc1nccc(c1)[N+](=O)[O-]
Isomeric Smiles
n1c(cc(cc1)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6698322
LogD (pH = 7.4)
1.6698322
Log P
1.6698322
Molar Refractivity
38.6866
Polarizability
14.474322
Polar Surface Area
56.03
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
References
Bioactivity
Navigation