Molecule

ID:29280

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO₂
Molecular Mass
341.48704
Exact Mass
341.23547924
Charge
0
InChI
InChI=1S/C22H31NO2/c1-4-5-6-7-15-24-21-13-11-20(12-14-21)23-17-19-9-8-10-22(16-19)25-18(2)3/h8-14,16,18,23H,4-7,15,17H2,1-3H3
InChIKey
FDZXEVPYEWNEGY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)NCc1cccc(c1)OC(C)C
Isomeric Smiles
N(c1ccc(cc1)OCCCCCC)Cc1cc(OC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.735872
LogD (pH = 7.4)
5.840069
Log P
5.8415737
Molar Refractivity
106.0338
Polarizability
40.861397
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
No Data Available
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Molecule Details
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References
Bioactivity
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