Molecule

ID:29368

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₃
Molecular Mass
377.47608
Exact Mass
377.19909373
Charge
0
InChI
InChI=1S/C24H27NO3/c1-2-16-28-24-11-7-6-8-20(24)19-25-21-12-14-23(15-13-21)27-18-17-26-22-9-4-3-5-10-22/h3-15,25H,2,16-19H2,1H3
InChIKey
NPDRXLURUCDDDR-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1CNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
c1(CNc2ccc(cc2)OCCOc2ccccc2)c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.2925196
LogD (pH = 7.4)
5.377338
Log P
5.3785343
Molar Refractivity
113.6156
Polarizability
43.754173
Polar Surface Area
39.72
Rotatable Bonds
11
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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