Molecule
ID:63487
General Information
Molecular Formula
C₈H₃BrCl₂N₂
Molecular Mass
277.93282
Exact Mass
275.88566547
Charge
0
InChI
InChI=1S/C8H3BrCl2N2/c9-4-1-2-5-6(3-4)8(11)13-12-7(5)10/h1-3H
InChIKey
MRUUOENIWOPHLR-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(Cl)nnc2Cl
Isomeric Smiles
c1(cc2c(nnc(c2cc1)Cl)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1824765
LogD (pH = 7.4)
3.1824765
Log P
3.1824765
Molar Refractivity
59.5696
Polarizability
22.83248
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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