Molecule

ID:69213

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BrN₃
Molecular Mass
256.14226
Exact Mass
255.03710946
Charge
0
InChI
InChI=1S/C10H14BrN3/c11-9-6-7-12-10(14-9)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13,14)
InChIKey
DBUIHTZEKXKJPT-UHFFFAOYSA-N
Canonic Smiles
Brc1ccnc(n1)NC1CCCCC1
Isomeric Smiles
N(C1CCCCC1)c1nc(ccn1)Br
Calculated Properties
JChem
Acid pKa
14.90858
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9741228
LogD (pH = 7.4)
2.9748356
Log P
2.9748447
Molar Refractivity
62.3413
Polarizability
22.863098
Polar Surface Area
37.81
Rotatable Bonds
2
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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