Molecule

ID:29364

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₄
Molecular Mass
379.4489
Exact Mass
379.17835829
Charge
0
InChI
InChI=1S/C23H25NO4/c1-25-20-11-13-23(14-12-20)26-16-15-24-19-7-9-22(10-8-19)28-18-17-27-21-5-3-2-4-6-21/h2-14,24H,15-18H2,1H3
InChIKey
ZFCYYYLPDLNDFK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCCNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
c1(NCCOc2ccc(cc2)OC)ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
4.252075
LogD (pH = 7.4)
4.4162264
Log P
4.418781
Molar Refractivity
110.2826
Polarizability
42.572605
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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