Molecule

ID:14943

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₄O₂
Molecular Mass
266.33938
Exact Mass
266.17427596
Charge
0
InChI
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-8-5-10(6-9-16)17-11(14)4-7-15-17/h4,7,10H,5-6,8-9,14H2,1-3H3
InChIKey
GPPWROXEQAURAI-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)n1nccc1N)OC(C)(C)C
Isomeric Smiles
C1(n2c(ccn2)N)CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5849324
LogD (pH = 7.4)
0.5883781
Log P
0.5884222
Molar Refractivity
84.0666
Polarizability
27.886694
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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