Molecule

ID:11273

General Information
Structure
Molecular Formula
C₂₀H₂₄N₂O₃
Molecular Mass
340.41616
Exact Mass
340.17869264
Charge
0
InChI
InChI=1S/C20H24N2O3/c1-23-18-10-14(11-19(24-2)20(18)25-3)12-21-9-8-15-13-22-17-7-5-4-6-16(15)17/h4-7,10-11,13,21-22H,8-9,12H2,1-3H3
InChIKey
RNFBXOBIDNOBJJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCCc2c[nH]c3c2cccc3)cc(c1OC)OC
Isomeric Smiles
[nH]1cc(c2c1cccc2)CCNCc1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
Acid pKa
17.167559
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.022037368
LogD (pH = 7.4)
0.9512705
Log P
3.1704772
Molar Refractivity
99.1497
Polarizability
39.673523
Polar Surface Area
55.51
Rotatable Bonds
8
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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