Molecule

ID:38059

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrN₃O₄
Molecular Mass
292.0867
Exact Mass
290.98546782
Charge
0
InChI
InChI=1S/C8H10BrN3O4/c1-3-16-6(13)4-11-5(2)7(9)8(10-11)12(14)15/h3-4H2,1-2H3
InChIKey
OZTZXCSOJKMYDM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1nc(c(c1C)Br)[N+](=O)[O-]
Isomeric Smiles
c1(c(c(n(n1)CC(=O)OCC)C)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8845469
LogD (pH = 7.4)
1.8845469
Log P
1.8845469
Molar Refractivity
70.9744
Polarizability
22.1812
Polar Surface Area
89.94
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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