Molecule
ID:75602
General Information
Molecular Formula
C₁₀H₁₅BrN₂
Molecular Mass
243.1435
Exact Mass
242.04186049
Charge
0
InChI
InChI=1S/C10H15BrN2/c1-2-3-4-5-6-10-9(11)7-12-8-13-10/h7-8H,2-6H2,1H3
InChIKey
WVYJYKUDFFKVKU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1ncncc1Br
Isomeric Smiles
n1cncc(c1CCCCCC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.42862
LogD (pH = 7.4)
3.4286683
Log P
3.4286687
Molar Refractivity
57.9675
Polarizability
22.280842
Polar Surface Area
25.78
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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