Molecule

ID:33800

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄O
Molecular Mass
222.28682
Exact Mass
222.14806122
Charge
0
InChI
InChI=1S/C11H18N4O/c1-3-15-5-4-10(12-15)11(16)14-8-6-13(2)7-9-14/h4-5H,3,6-9H2,1-2H3
InChIKey
KZVOMELQZCWOPH-UHFFFAOYSA-N
Canonic Smiles
CCn1ccc(n1)C(=O)N1CCN(CC1)C
Isomeric Smiles
n1(nc(cc1)C(=O)N1CCN(CC1)C)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.9014672
LogD (pH = 7.4)
0.21575303
Log P
0.28887615
Molar Refractivity
74.2599
Polarizability
23.599617
Polar Surface Area
41.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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