Molecule

ID:29371

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₄
Molecular Mass
393.47548
Exact Mass
393.19400835
Charge
0
InChI
InChI=1S/C24H27NO4/c1-26-15-16-27-23-11-7-20(8-12-23)19-25-21-9-13-24(14-10-21)29-18-17-28-22-5-3-2-4-6-22/h2-14,25H,15-19H2,1H3
InChIKey
IREXTKURQOZIBP-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)CNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)OCCOc1ccccc1)Cc1ccc(cc1)OCCOC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
4.348007
LogD (pH = 7.4)
4.450747
Log P
4.4522285
Molar Refractivity
115.3865
Polarizability
44.428715
Polar Surface Area
48.95
Rotatable Bonds
12
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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