Molecule

ID:124581

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁BrN₄O₂
Molecular Mass
275.10254
Exact Mass
274.00653761
Charge
0
InChI
InChI=1S/C8H11BrN4O2/c9-7-10-8(13(14)15)11-12(7)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
PHYNDXQJJYRBFI-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(nn1C1CCCCC1)[N+](=O)[O-]
Isomeric Smiles
c1(nc(n(n1)C1CCCCC1)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1966941
LogD (pH = 7.4)
3.1966941
Log P
3.1966941
Molar Refractivity
70.0452
Polarizability
21.614548
Polar Surface Area
76.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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