Molecule

ID:67610

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrN₄O
Molecular Mass
283.12454
Exact Mass
282.01162299
Charge
0
InChI
InChI=1S/C10H11BrN4O/c11-8-7-12-9-1-2-10(13-15(8)9)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKey
ZHDRUVUETRNEBZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2n1nc(cc2)N1CCOCC1
Isomeric Smiles
N1(CCOCC1)c1ccc2n(n1)c(cn2)Br
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6030337
LogD (pH = 7.4)
1.6060431
Log P
1.6060817
Molar Refractivity
74.995
Polarizability
23.840311
Polar Surface Area
42.66
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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