Molecule

ID:28866

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-17-9-10-18(2)23(15-17)25-19(3)16-24-20-11-13-22(14-12-20)26-21-7-5-4-6-8-21/h4-15,19,24H,16H2,1-3H3
InChIKey
CSDDKDZWBUHTNZ-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cc(C)ccc1C)CNc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1(OC(CNc2ccc(Oc3ccccc3)cc2)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.978449
LogD (pH = 7.4)
6.033036
Log P
6.0337787
Molar Refractivity
107.546
Polarizability
41.165527
Polar Surface Area
30.49
Rotatable Bonds
7
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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