Molecule

ID:62692

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BrN₃
Molecular Mass
256.14226
Exact Mass
255.03710946
Charge
0
InChI
InChI=1S/C10H14BrN3/c1-14-4-2-3-8(7-14)9-5-12-6-10(11)13-9/h5-6,8H,2-4,7H2,1H3
InChIKey
ULRKQKDTUCUVMG-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)c1cncc(n1)Br
Isomeric Smiles
n1c(C2CN(CCC2)C)cncc1Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.17077263
LogD (pH = 7.4)
1.1554607
Log P
1.286079
Molar Refractivity
60.373
Polarizability
23.150064
Polar Surface Area
29.02
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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