Molecule

ID:34920

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄N₂O₂
Molecular Mass
324.41676
Exact Mass
324.18377802
Charge
0
InChI
InChI=1S/C20H24N2O2/c1-2-4-16(5-3-1)14-22-10-8-18(9-11-22)21-13-17-6-7-19-20(12-17)24-15-23-19/h1-7,12,18,21H,8-11,13-15H2
InChIKey
WXWMMFLCDASCOG-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCC(CC1)NCc1ccc2c(c1)OCO2
Isomeric Smiles
N1(Cc2ccccc2)CCC(NCc2cc3c(OCO3)cc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2091396
LogD (pH = 7.4)
0.2183043
Log P
2.9061074
Molar Refractivity
95.1366
Polarizability
37.612343
Polar Surface Area
33.73
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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