Molecule

ID:13952

General Information
Structure
MolImage
Molecular Formula
C₄H₈Br₂N₂O
Molecular Mass
259.92712
Exact Mass
257.90033689
Charge
0
InChI
InChI=1S/C4H7BrN2O.BrH/c5-1-3-2-7-4(6)8-3;/h3H,1-2H2,(H2,6,7);1H
InChIKey
DAKLBHWVCDAYKV-UHFFFAOYSA-N
Canonic Smiles
NC1=NCC(O1)CBr.Br
Isomeric Smiles
C1N=C(OC1CBr)N.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3494767
LogD (pH = 7.4)
0.17323726
Log P
0.58766764
Molar Refractivity
33.4623
Polarizability
12.919115
Polar Surface Area
47.61
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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