Molecule

ID:29444

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₂
Molecular Mass
327.46046
Exact Mass
327.21982917
Charge
0
InChI
InChI=1S/C21H29NO2/c1-3-4-5-6-16-24-21-9-7-8-19(17-21)22-15-14-18-10-12-20(23-2)13-11-18/h7-13,17,22H,3-6,14-16H2,1-2H3
InChIKey
MECVYIAMWPLPKW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1cccc(c1)NCCc1ccc(cc1)OC
Isomeric Smiles
c1c(NCCc2ccc(cc2)OC)cccc1OCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.3224683
LogD (pH = 7.4)
5.356402
Log P
5.356852
Molar Refractivity
101.6214
Polarizability
38.940292
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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