Molecule

ID:29375

General Information
Structure
Molecular Formula
C₂₅H₂₉NO₃
Molecular Mass
391.50266
Exact Mass
391.21474379
Charge
0
InChI
InChI=1S/C25H29NO3/c1-3-20(2)29-25-13-9-21(10-14-25)19-26-22-11-15-24(16-12-22)28-18-17-27-23-7-5-4-6-8-23/h4-16,20,26H,3,17-19H2,1-2H3
InChIKey
YSYAEDGSODQLKL-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)CNc1ccc(cc1)OCCOc1ccccc1)C
Isomeric Smiles
N(c1ccc(cc1)OCCOc1ccccc1)Cc1ccc(OC(CC)C)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.6908884
LogD (pH = 7.4)
5.793628
Log P
5.7951097
Molar Refractivity
118.0344
Polarizability
45.599052
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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