Molecule

ID:29669

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₉NO₄
Molecular Mass
419.51276
Exact Mass
419.20965841
Charge
0
InChI
InChI=1S/C26H29NO4/c1-2-7-23(8-3-1)29-16-17-30-24-13-11-21(12-14-24)19-27-22-6-4-9-25(18-22)31-20-26-10-5-15-28-26/h1-4,6-9,11-14,18,26-27H,5,10,15-17,19-20H2
InChIKey
NOWTVELISJYVQM-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)COc1cccc(c1)NCc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1cc(OCC2OCCC2)ccc1)Cc1ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
4.913793
LogD (pH = 7.4)
4.9177427
Log P
4.9177933
Molar Refractivity
122.5977
Polarizability
47.384926
Polar Surface Area
48.95
Rotatable Bonds
11
Lipinski's Rule of Five
true
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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