Molecule

ID:114600

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₄O
Molecular Mass
236.3134
Exact Mass
236.16371128
Charge
0
InChI
InChI=1S/C12H20N4O/c1-8-5-11(13-4)15-12(14-8)16-6-9(2)17-10(3)7-16/h5,9-10H,6-7H2,1-4H3,(H,13,14,15)
InChIKey
DCKKKDGDBJIOBR-UHFFFAOYSA-N
Canonic Smiles
CNc1cc(C)nc(n1)N1CC(C)OC(C1)C
Isomeric Smiles
c1(nc(cc(n1)C)NC)N1CC(OC(C1)C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.116257794
LogD (pH = 7.4)
1.1550721
Log P
1.6498208
Molar Refractivity
70.1078
Polarizability
25.43893
Polar Surface Area
50.28
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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