Molecule

ID:29551

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₂
Molecular Mass
361.47668
Exact Mass
361.20417911
Charge
0
InChI
InChI=1S/C24H27NO2/c1-19(2)23-13-6-7-14-24(23)26-16-15-25-21-11-8-12-22(17-21)27-18-20-9-4-3-5-10-20/h3-14,17,19,25H,15-16,18H2,1-2H3
InChIKey
MYGXSUACDCIRLJ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCCNc1cccc(c1)OCc1ccccc1)C
Isomeric Smiles
c1(c(OCCNc2cc(OCc3ccccc3)ccc2)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.895052
LogD (pH = 7.4)
5.901798
Log P
5.9018846
Molar Refractivity
112.0706
Polarizability
43.028374
Polar Surface Area
30.49
Rotatable Bonds
9
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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