Molecule

ID:34916

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O
Molecular Mass
310.43324
Exact Mass
310.20451346
Charge
0
InChI
InChI=1S/C20H26N2O/c1-23-20-9-7-17(8-10-20)15-21-19-11-13-22(14-12-19)16-18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3
InChIKey
YIMSPZSPOCILQU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCC(NCc2ccc(cc2)OC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.026931
LogD (pH = 7.4)
0.3011334
Log P
3.1252027
Molar Refractivity
95.8329
Polarizability
37.70998
Polar Surface Area
24.5
Rotatable Bonds
6
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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