Molecule

ID:137014

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O₂
Molecular Mass
296.3636
Exact Mass
296.15247789
Charge
0
InChI
InChI=1S/C18H20N2O2/c1-3-20(17-8-6-5-7-9-17)14-19-16-12-10-15(11-13-16)18(21)22-4-2/h5-14H,3-4H2,1-2H3
InChIKey
LTGPEBRDBMFYBR-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccccc1)/C=N/c1ccc(cc1)C(=O)OCC
Isomeric Smiles
CCN(/C=N/c1ccc(cc1)C(=O)OCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1463985
LogD (pH = 7.4)
4.062783
Log P
4.1120415
Molar Refractivity
90.9334
Polarizability
33.553535
Polar Surface Area
41.9
Rotatable Bonds
6
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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