Molecule

ID:29374

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₄
Molecular Mass
407.50206
Exact Mass
407.20965841
Charge
0
InChI
InChI=1S/C25H29NO4/c1-2-27-15-16-30-25-10-6-7-21(19-25)20-26-22-11-13-24(14-12-22)29-18-17-28-23-8-4-3-5-9-23/h3-14,19,26H,2,15-18,20H2,1H3
InChIKey
BXXROSALZZXUCW-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)CNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)OCCOc1ccccc1)Cc1cc(OCCOCC)ccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
4.705521
LogD (pH = 7.4)
4.807566
Log P
4.8090367
Molar Refractivity
120.1351
Polarizability
46.272537
Polar Surface Area
48.95
Rotatable Bonds
13
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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