Molecule

ID:42737

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)18-8-6-17(7-9-18)12-5-4-11(15)10-16-12/h4-5,10H,6-9,15H2,1-3H3
InChIKey
RMHRRMBFHGEDSR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(c2ncc(N)cc2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.24022622
LogD (pH = 7.4)
1.2710707
Log P
1.3764135
Molar Refractivity
79.0941
Polarizability
29.472507
Polar Surface Area
71.69
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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