Molecule

ID:28949

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-18-11-12-19(2)23(15-18)24-17-20-7-6-10-22(16-20)26-14-13-25-21-8-4-3-5-9-21/h3-12,15-16,24H,13-14,17H2,1-2H3
InChIKey
GJSCDZIUIGQTIP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)NCc1cccc(c1)OCCOc1ccccc1)C
Isomeric Smiles
c1(NCc2cc(OCCOc3ccccc3)ccc2)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.6718655
LogD (pH = 7.4)
5.683567
Log P
5.683718
Molar Refractivity
107.9622
Polarizability
41.103954
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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