Molecule
ID:114218
General Information
Molecular Formula
C₁₀H₆BrClN₂
Molecular Mass
269.52504
Exact Mass
267.94028788
Charge
0
InChI
InChI=1S/C10H6BrClN2/c11-8-3-1-2-7(6-8)9-4-5-10(12)14-13-9/h1-6H
InChIKey
KNYWWMABMAMYEU-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)c1ccc(nn1)Cl
Isomeric Smiles
n1nc(ccc1c1cc(Br)ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4018514
LogD (pH = 7.4)
3.4018536
Log P
3.4018536
Molar Refractivity
62.0175
Polarizability
24.175323
Polar Surface Area
25.78
Rotatable Bonds
1
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
No Data Available
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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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