Molecule

ID:41415

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₄O₂
Molecular Mass
278.35008
Exact Mass
278.17427596
Charge
0
InChI
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-9-5-11(6-10-18)17-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,15,16,17)
InChIKey
DKOVCTZXGVMJIV-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)Nc1ncccn1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(Nc2ncccn2)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.167758
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1250077
LogD (pH = 7.4)
1.1282098
Log P
1.1282508
Molar Refractivity
78.0136
Polarizability
29.288857
Polar Surface Area
67.35
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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