Molecule

ID:88045

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₆N₂O₂
Molecular Mass
338.44334
Exact Mass
338.19942808
Charge
0
InChI
InChI=1S/C21H26N2O2/c1-2-25-21(24)20-17-22(15-18-9-5-3-6-10-18)13-14-23(20)16-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKey
KKXWTUYDLQVOOO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CN(CCN1Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
N1(C(C(=O)OCC)CN(Cc2ccccc2)CC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5416219
LogD (pH = 7.4)
3.2332578
Log P
3.6788769
Molar Refractivity
100.611
Polarizability
39.605526
Polar Surface Area
32.78
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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