Molecule
ID:122266
General Information
Molecular Formula
C₁₁H₁₁Cl₂N₃
Molecular Mass
256.13114
Exact Mass
255.03300273
Charge
0
InChI
InChI=1S/C11H11Cl2N3/c1-7-5-11(14)15-16(7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKey
OXQFQKMBUFYKMI-UHFFFAOYSA-N
Canonic Smiles
Nc1nn(c(c1)C)Cc1c(Cl)cccc1Cl
Isomeric Smiles
n1(nc(cc1C)N)Cc1c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2821853
LogD (pH = 7.4)
3.2985487
Log P
3.2987611
Molar Refractivity
79.3472
Polarizability
25.157932
Polar Surface Area
43.84
Rotatable Bonds
2
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
No Data Available
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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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