Molecule

ID:29299

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO₂
Molecular Mass
341.48704
Exact Mass
341.23547924
Charge
0
InChI
InChI=1S/C22H31NO2/c1-16(2)15-24-21-12-8-20(9-13-21)23-14-18(5)25-22-10-6-19(7-11-22)17(3)4/h6-13,16-18,23H,14-15H2,1-5H3
InChIKey
BSRKFRFQLWIMEG-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccc(cc1)NCC(Oc1ccc(cc1)C(C)C)C)C
Isomeric Smiles
c1(ccc(OC(CNc2ccc(OCC(C)C)cc2)C)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.661968
LogD (pH = 7.4)
5.8355565
Log P
5.8382897
Molar Refractivity
105.621
Polarizability
40.784542
Polar Surface Area
30.49
Rotatable Bonds
9
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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