Molecule

ID:117731

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄O₂
Molecular Mass
238.28622
Exact Mass
238.14297584
Charge
0
InChI
InChI=1S/C11H18N4O2/c1-9-8-10(13-17-9)11(16)15-6-4-14(3-2-12)5-7-15/h8H,2-7,12H2,1H3
InChIKey
DZACJZVZUDQEIJ-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)c1noc(c1)C
Isomeric Smiles
c1(noc(c1)C)C(=O)N1CCN(CC1)CCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.7376802
LogD (pH = 7.4)
-2.6686485
Log P
-0.7286689
Molar Refractivity
65.1494
Polarizability
24.333061
Polar Surface Area
75.6
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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