Molecule

ID:60736

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₄O
Molecular Mass
234.29752
Exact Mass
234.14806122
Charge
0
InChI
InChI=1S/C12H18N4O/c1-15-6-8-16(9-7-15)14-12(17)10-4-2-3-5-11(10)13/h2-5H,6-9,13H2,1H3,(H,14,17)
InChIKey
ZEWDOZLTISLLBR-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)NC(=O)c1ccccc1N
Isomeric Smiles
C(=O)(c1c(N)cccc1)NN1CCN(CC1)C
Calculated Properties
JChem
Acid pKa
14.958906
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4994524
LogD (pH = 7.4)
0.078006186
Log P
0.3613742
Molar Refractivity
68.9803
Polarizability
25.73189
Polar Surface Area
61.6
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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