Molecule

ID:29541

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-3-10-20(11-4-1)12-9-18-26-23-16-8-7-15-22(23)24-17-19-25-21-13-5-2-6-14-21/h1-8,10-11,13-16,24H,9,12,17-19H2
InChIKey
PDKZPPDQKOBGIB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCCOc1ccccc1NCCOc1ccccc1
Isomeric Smiles
c1(c(OCCCc2ccccc2)cccc1)NCCOc1ccccc1
Calculated Properties
JChem
Acid pKa
19.22195
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.3499517
LogD (pH = 7.4)
5.389576
Log P
5.3901052
Molar Refractivity
107.2358
Polarizability
41.18973
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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