Molecule

ID:23540

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₂
Molecular Mass
326.43264
Exact Mass
326.19942808
Charge
0
InChI
InChI=1S/C20H26N2O2/c1-4-14(3)17-8-6-7-9-19(17)24-18(5-2)20(23)22-16-12-10-15(21)11-13-16/h6-14,18H,4-5,21H2,1-3H3,(H,22,23)
InChIKey
HWIUHMFWKMYUMJ-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Nc1ccc(cc1)N)Oc1ccccc1C(CC)C
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)C(Oc1c(C(CC)C)cccc1)CC
Calculated Properties
JChem
Acid pKa
13.024443
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.669883
LogD (pH = 7.4)
4.679671
Log P
4.679798
Molar Refractivity
99.3932
Polarizability
37.598408
Polar Surface Area
64.35
Rotatable Bonds
7
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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