Molecule

ID:29130

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₂
Molecular Mass
327.46046
Exact Mass
327.21982917
Charge
0
InChI
InChI=1S/C21H29NO2/c1-3-4-5-6-9-16-24-19-14-12-18(13-15-19)17-22-20-10-7-8-11-21(20)23-2/h7-8,10-15,22H,3-6,9,16-17H2,1-2H3
InChIKey
QJPCBMBYNOUCLD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)CNc1ccccc1OC
Isomeric Smiles
N(c1c(OC)cccc1)Cc1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
Acid pKa
19.049625
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.488001
LogD (pH = 7.4)
5.512439
Log P
5.5127597
Molar Refractivity
101.4674
Polarizability
39.01802
Polar Surface Area
30.49
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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