Molecule

ID:48258

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O₂
Molecular Mass
296.3636
Exact Mass
296.15247789
Charge
0
InChI
InChI=1S/C18H20N2O2/c1-2-22-18(21)14-7-8-17(16(19)11-14)20-10-9-13-5-3-4-6-15(13)12-20/h3-8,11H,2,9-10,12,19H2,1H3
InChIKey
ZLYMTUSPNKXTPE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2c(cc(C(=O)OCC)cc2)N)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3764565
LogD (pH = 7.4)
3.3770032
Log P
3.3770103
Molar Refractivity
89.8831
Polarizability
33.17713
Polar Surface Area
55.56
Rotatable Bonds
4
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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