Molecule

ID:29571

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO
Molecular Mass
325.48764
Exact Mass
325.24056462
Charge
0
InChI
InChI=1S/C22H31NO/c1-4-5-6-7-8-15-24-22-13-10-20(11-14-22)17-23-21-12-9-18(2)19(3)16-21/h9-14,16,23H,4-8,15,17H2,1-3H3
InChIKey
WUZQJVAFJNTITP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)CNc1ccc(c(c1)C)C
Isomeric Smiles
c1(c(ccc(c1)NCc1ccc(cc1)OCCCCCCC)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.659946
LogD (pH = 7.4)
6.696783
Log P
6.6972737
Molar Refractivity
105.0866
Polarizability
40.064453
Polar Surface Area
21.26
Rotatable Bonds
10
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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