Molecule

ID:28870

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-3-18(2)25-22-13-9-19(10-14-22)17-24-20-11-15-23(16-12-20)26-21-7-5-4-6-8-21/h4-16,18,24H,3,17H2,1-2H3
InChIKey
UXUVXDOIZIAHJJ-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)CNc1ccc(cc1)Oc1ccccc1)C
Isomeric Smiles
N(c1ccc(Oc2ccccc2)cc1)Cc1ccc(OC(CC)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.777567
LogD (pH = 7.4)
5.808608
Log P
5.809018
Molar Refractivity
107.2598
Polarizability
41.319798
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
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Molecule Details
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References
Bioactivity
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