Molecule
ID:80183
General Information
Molecular Formula
C₁₀H₁₂Br₂N₄O₂
Molecular Mass
380.03588
Exact Mass
377.93269964
Charge
0
InChI
InChI=1S/C10H12Br2N4O2/c1-5(11)4-16-6-7(13-9(16)12)14(2)10(18)15(3)8(6)17/h5H,4H2,1-3H3
InChIKey
CWVWFKZVQRMWRJ-UHFFFAOYSA-N
Canonic Smiles
CC(Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C)Br
Isomeric Smiles
n1c(Br)n(c2c1n(c(=O)n(c2=O)C)C)CC(Br)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7849816
LogD (pH = 7.4)
1.7849816
Log P
1.7849816
Molar Refractivity
74.2016
Polarizability
27.614319
Polar Surface Area
58.44
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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