Molecule

ID:66684

General Information
Structure
MolImage
Molecular Formula
C₈H₄Br₂N₂
Molecular Mass
287.93876
Exact Mass
285.87412214
Charge
0
InChI
InChI=1S/C8H4Br2N2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
InChIKey
NAARTNANGRCYIZ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)cnc(n2)Br
Isomeric Smiles
n1c(ncc2cc(ccc12)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2524183
LogD (pH = 7.4)
3.2524183
Log P
3.2524183
Molar Refractivity
54.5208
Polarizability
21.853971
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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