Molecule

ID:29339

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO₂
Molecular Mass
341.48704
Exact Mass
341.23547924
Charge
0
InChI
InChI=1S/C22H31NO2/c1-5-18(4)25-22-10-6-19(7-11-22)16-23-20-8-12-21(13-9-20)24-15-14-17(2)3/h6-13,17-18,23H,5,14-16H2,1-4H3
InChIKey
LCRPMLLAGLDJHF-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)CNc1ccc(cc1)OCCC(C)C)C
Isomeric Smiles
N(c1ccc(cc1)OCCC(C)C)Cc1ccc(OC(CC)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.655566
LogD (pH = 7.4)
5.7604613
Log P
5.761978
Molar Refractivity
105.9044
Polarizability
40.86135
Polar Surface Area
30.49
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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