Molecule

ID:124771

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃BrN₄
Molecular Mass
245.11962
Exact Mass
244.03235844
Charge
0
InChI
InChI=1S/C8H13BrN4/c1-12-8(10-7(9)11-12)13-5-3-2-4-6-13/h2-6H2,1H3
InChIKey
FRIUFJGMYVKXIT-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(n(n1)C)N1CCCCC1
Isomeric Smiles
c1(nc(nn1C)Br)N1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4158442
LogD (pH = 7.4)
2.4158492
Log P
2.4158494
Molar Refractivity
68.2769
Polarizability
20.662497
Polar Surface Area
33.95
Rotatable Bonds
1
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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