Molecule

ID:17599

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₄O
Molecular Mass
260.3348
Exact Mass
260.16371128
Charge
0
InChI
InChI=1S/C14H20N4O/c1-16-12-8-10(15)11(18-6-4-3-5-7-18)9-13(12)17(2)14(16)19/h8-9H,3-7,15H2,1-2H3
InChIKey
ZOMSUTGXSSYGLG-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2c(cc1N1CCCCC1)n(c(=O)n2C)C
Isomeric Smiles
c12c(n(c(=O)n2C)C)cc(c(c1)N1CCCCC1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.353565
LogD (pH = 7.4)
1.3647478
Log P
1.3648922
Molar Refractivity
77.4976
Polarizability
28.20104
Polar Surface Area
52.81
Rotatable Bonds
1
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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