Molecule

ID:29549

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₃
Molecular Mass
391.50266
Exact Mass
391.21474379
Charge
0
InChI
InChI=1S/C25H29NO3/c1-27-18-19-28-23-15-13-22(14-16-23)20-26-24-11-5-6-12-25(24)29-17-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-16,26H,7,10,17-20H2,1H3
InChIKey
INYPVOSIHKOYSM-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)CNc1ccccc1OCCCc1ccccc1
Isomeric Smiles
N(c1c(OCCCc2ccccc2)cccc1)Cc1ccc(cc1)OCCOC
Calculated Properties
JChem
Acid pKa
19.01914
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.2421556
LogD (pH = 7.4)
5.265575
Log P
5.265882
Molar Refractivity
118.8029
Polarizability
45.538643
Polar Surface Area
39.72
Rotatable Bonds
12
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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