Molecule

ID:29539

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₂
Molecular Mass
375.50326
Exact Mass
375.21982917
Charge
0
InChI
InChI=1S/C25H29NO2/c1-20-10-8-11-21(2)25(20)28-19-17-26-23-15-6-7-16-24(23)27-18-9-14-22-12-4-3-5-13-22/h3-8,10-13,15-16,26H,9,14,17-19H2,1-2H3
InChIKey
UIQZDYYKQXTJIK-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1OCCNc1ccccc1OCCCc1ccccc1)C
Isomeric Smiles
c1(c(cccc1C)C)OCCNc1c(OCCCc2ccccc2)cccc1
Calculated Properties
JChem
Acid pKa
19.221916
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.3767962
LogD (pH = 7.4)
6.4164186
Log P
6.416948
Molar Refractivity
117.3182
Polarizability
44.724144
Polar Surface Area
30.49
Rotatable Bonds
10
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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