Molecule

ID:75669

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrClN₃O₂
Molecular Mass
278.4905
Exact Mass
276.9253661
Charge
0
InChI
InChI=1S/C7H4BrN3O2.ClH/c8-6-3-5(11(12)13)4-10-2-1-9-7(6)10;/h1-4H;1H
InChIKey
XAUNQZNOHAPMMP-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Br)c2n(c1)ccn2.Cl
Isomeric Smiles
n12ccnc1c(cc(c2)[N+](=O)[O-])Br.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3469301
LogD (pH = 7.4)
1.4664742
Log P
1.4682863
Molar Refractivity
50.8839
Polarizability
18.248213
Polar Surface Area
63.12
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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