Molecule

ID:80190

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅BrN₄O₃
Molecular Mass
379.2086
Exact Mass
378.03275236
Charge
0
InChI
InChI=1S/C15H15BrN4O3/c1-18-12-11(13(21)19(2)15(18)22)20(14(16)17-12)8-9-23-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
RTVKMTICNVFLNG-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)n(C)c2c(c1=O)n(CCOc1ccccc1)c(n2)Br
Isomeric Smiles
n1c(Br)n(c2c1n(c(=O)n(c2=O)C)C)CCOc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.162471
LogD (pH = 7.4)
2.162471
Log P
2.162471
Molar Refractivity
88.0082
Polarizability
32.91936
Polar Surface Area
67.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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