Molecule

ID:48449

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₄O
Molecular Mass
236.3134
Exact Mass
236.16371128
Charge
0
InChI
InChI=1S/C12H20N4O/c13-10-11-2-1-3-14-12(11)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-10,13H2
InChIKey
QFFMYLHUNLXQPT-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)c1ncccc1CN
Isomeric Smiles
c1(N2CCN(CC2)CCO)c(CN)cccn1
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.831847
LogD (pH = 7.4)
-1.837369
Log P
-0.2591392
Molar Refractivity
69.459
Polarizability
26.398207
Polar Surface Area
65.62
Rotatable Bonds
4
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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