Molecule

ID:86174

General Information
Structure
MolImage
Molecular Formula
C₈H₄Br₂N₂O₂
Molecular Mass
319.93756
Exact Mass
317.86395138
Charge
0
InChI
InChI=1S/C8H4Br2N2O2/c9-5-1-4(2-6(10)7(5)13)8-12-11-3-14-8/h1-3,13H
InChIKey
RICXGHBRPDGRQD-UHFFFAOYSA-N
Canonic Smiles
Oc1c(Br)cc(cc1Br)c1nnco1
Isomeric Smiles
n1c(c2cc(c(c(c2)Br)O)Br)ocn1
Calculated Properties
JChem
Acid pKa
5.7181406
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0102618
LogD (pH = 7.4)
0.6799238
Log P
2.2133958
Molar Refractivity
69.3117
Polarizability
22.38579
Polar Surface Area
59.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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