Molecule

ID:62358

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₄
Molecular Mass
268.3568
Exact Mass
268.16879666
Charge
0
InChI
InChI=1S/C16H20N4/c1-12-10-14(20-16-4-2-3-7-18-16)11-15(19-12)13-5-8-17-9-6-13/h2-4,7,10-11,13,17H,5-6,8-9H2,1H3,(H,18,19,20)
InChIKey
FHVAPVHERBJISM-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(n1)C1CCNCC1)Nc1ccccn1
Isomeric Smiles
n1c(cc(Nc2ncccc2)cc1C)C1CCNCC1
Calculated Properties
JChem
Acid pKa
16.347689
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.637192
LogD (pH = 7.4)
-0.64754206
Log P
1.9386024
Molar Refractivity
80.1585
Polarizability
30.961823
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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