Molecule

ID:117395

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₄O
Molecular Mass
220.27094
Exact Mass
220.13241115
Charge
0
InChI
InChI=1S/C11H16N4O/c12-11(13)14-9-1-3-10(4-2-9)15-5-7-16-8-6-15/h1-4H,5-8H2,(H4,12,13,14)
InChIKey
ZVZJREQBRCRGLM-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Nc1ccc(cc1)N1CCOCC1
Isomeric Smiles
C(=N)(Nc1ccc(N2CCOCC2)cc1)N
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.5780104
LogD (pH = 7.4)
-1.5230172
Log P
0.8367822
Molar Refractivity
75.6949
Polarizability
23.638966
Polar Surface Area
74.37
Rotatable Bonds
2
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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