Molecule

ID:44374

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₄O₃
Molecular Mass
266.29632
Exact Mass
266.13789046
Charge
0
InChI
InChI=1S/C12H18N4O3/c1-2-19-12(18)9-16-11(17)7-10(8-14-16)15-5-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3
InChIKey
RVWYQADKYFRQJZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1ncc(cc1=O)N1CCNCC1
Isomeric Smiles
n1(c(=O)cc(cn1)N1CCNCC1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.9780908
LogD (pH = 7.4)
-2.4874923
Log P
-0.9529166
Molar Refractivity
70.9095
Polarizability
26.564583
Polar Surface Area
74.24
Rotatable Bonds
5
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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