Molecule

ID:44126

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄N₂O₃
Molecular Mass
340.41616
Exact Mass
340.17869264
Charge
0
InChI
InChI=1S/C20H24N2O3/c23-20(24)18-6-8-19(9-7-18)25-15-14-21-10-12-22(13-11-21)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,24)
InChIKey
FHKCDFWFVFSPQP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)OCCN1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCN1CCN(Cc2ccccc2)CC1)O
Calculated Properties
JChem
Acid pKa
4.316222
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.33806753
LogD (pH = 7.4)
0.3128807
Log P
0.35231096
Molar Refractivity
98.4592
Polarizability
38.134983
Polar Surface Area
53.01
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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