Molecule

ID:71686

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrN₄O₂
Molecular Mass
301.13982
Exact Mass
300.02218768
Charge
0
InChI
InChI=1S/C10H13BrN4O2/c1-5(2)15-6-7(12-9(15)11)13(3)10(17)14(4)8(6)16/h5H,1-4H3
InChIKey
OYOSTJSOFBEGON-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)n(C)c2c(c1=O)n(C(C)C)c(n2)Br
Isomeric Smiles
n1(c(=O)n(C)c2c(c1=O)n(c(n2)Br)C(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2918046
LogD (pH = 7.4)
1.2918046
Log P
1.2918046
Molar Refractivity
66.6234
Polarizability
24.590088
Polar Surface Area
58.44
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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