Molecule

ID:61874

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-19-12-4-3-11(9-13(12)20-2)17-10-15(21-14(17)18)5-7-16-8-6-15/h3-4,9,16H,5-8,10H2,1-2H3
InChIKey
IGUPZHNAAXMRJJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)N1CC2(OC1=O)CCNCC2
Isomeric Smiles
C1(=O)N(c2cc(c(cc2)OC)OC)CC2(O1)CCNCC2
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.443978
LogD (pH = 7.4)
-1.7408818
Log P
0.7749728
Molar Refractivity
76.6639
Polarizability
30.240337
Polar Surface Area
60.03
Rotatable Bonds
3
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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