Molecule

ID:45199

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O
Molecular Mass
310.43324
Exact Mass
310.20451346
Charge
0
InChI
InChI=1S/C20H26N2O/c23-20(11-13-21-14-12-20)17-22(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,21,23H,11-17H2
InChIKey
PIPXDBRSAWZSQW-UHFFFAOYSA-N
Canonic Smiles
OC1(CCNCC1)CN(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
N(CC1(CCNCC1)O)(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.329792
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.9839005
LogD (pH = 7.4)
-1.5836872
Log P
2.5165405
Molar Refractivity
95.5516
Polarizability
37.65192
Polar Surface Area
35.5
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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