Molecule

ID:77924

General Information
Structure
MolImage
Molecular Formula
C₃HBr₂N₃O₃
Molecular Mass
286.86634
Exact Mass
284.83846491
Charge
0
InChI
InChI=1S/C3HBr2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
InChIKey
HHBCEKAWSILOOP-UHFFFAOYSA-N
Canonic Smiles
O=c1n(Br)c(=O)[nH]c(=O)n1Br
Isomeric Smiles
[nH]1c(=O)n(c(=O)n(c1=O)Br)Br
Calculated Properties
JChem
Acid pKa
5.3248987
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.39972627
LogD (pH = 7.4)
-0.91690016
Log P
0.78972304
Molar Refractivity
40.5982
Polarizability
15.971138
Polar Surface Area
69.72
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
References
Bioactivity
Navigation