Molecule

ID:62347

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₄
Molecular Mass
268.3568
Exact Mass
268.16879666
Charge
0
InChI
InChI=1S/C16H20N4/c1-12-3-2-4-16(19-12)20-14-5-6-15(18-11-14)13-7-9-17-10-8-13/h2-6,11,13,17H,7-10H2,1H3,(H,19,20)
InChIKey
BSYBUQXELGNHJT-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)Nc1ccc(nc1)C1CCNCC1
Isomeric Smiles
n1c(ccc(Nc2nc(ccc2)C)c1)C1CCNCC1
Calculated Properties
JChem
Acid pKa
15.888532
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.9638839
LogD (pH = 7.4)
-0.6032876
Log P
1.9386024
Molar Refractivity
80.1585
Polarizability
30.96462
Polar Surface Area
49.84
Rotatable Bonds
3
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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