Molecule

ID:28730

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅NO
Molecular Mass
319.44
Exact Mass
319.19361443
Charge
0
InChI
InChI=1S/C22H25NO/c1-3-17(2)24-21-13-11-20(12-14-21)23-16-15-19-9-6-8-18-7-4-5-10-22(18)19/h4-14,17,23H,3,15-16H2,1-2H3
InChIKey
JIUFUTXZTFFQEU-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)NCCc1cccc2c1cccc2)C
Isomeric Smiles
c12c(CCNc3ccc(OC(CC)C)cc3)cccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0605817
LogD (pH = 7.4)
5.5740743
Log P
5.5868692
Molar Refractivity
102.2242
Polarizability
40.359024
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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