Molecule

ID:57438

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₄O₂
Molecular Mass
280.36596
Exact Mass
280.18992603
Charge
0
InChI
InChI=1S/C14H24N4O2/c1-10-9-16-18(12(10)15)11-5-7-17(8-6-11)13(19)20-14(2,3)4/h9,11H,5-8,15H2,1-4H3
InChIKey
JARMEWLWOIPLPW-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)n1ncc(c1N)C)OC(C)(C)C
Isomeric Smiles
n1(c(c(cn1)C)N)C1CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0975782
LogD (pH = 7.4)
1.1017896
Log P
1.1018436
Molar Refractivity
89.1078
Polarizability
29.645823
Polar Surface Area
73.38
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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