Molecule

ID:29606

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO₃
Molecular Mass
357.48644
Exact Mass
357.23039386
Charge
0
InChI
InChI=1S/C22H31NO3/c1-5-24-13-14-25-20-8-6-7-19(16-20)23-11-12-26-22-15-18(4)9-10-21(22)17(2)3/h6-10,15-17,23H,5,11-14H2,1-4H3
InChIKey
VCXCAPVMZGNBIZ-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)NCCOc1cc(C)ccc1C(C)C
Isomeric Smiles
c1(c(ccc(c1)C)C(C)C)OCCNc1cc(OCCOCC)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.993769
LogD (pH = 7.4)
5.000578
Log P
5.000665
Molar Refractivity
108.2913
Polarizability
41.377644
Polar Surface Area
39.72
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
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Molecule Details
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References
Bioactivity
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