Molecule

ID:29529

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₃
Molecular Mass
377.47608
Exact Mass
377.19909373
Charge
0
InChI
InChI=1S/C24H27NO3/c1-19-16-20(2)18-22(17-19)26-13-12-25-23-10-6-7-11-24(23)28-15-14-27-21-8-4-3-5-9-21/h3-11,16-18,25H,12-15H2,1-2H3
InChIKey
VSBJSFYSVQJMSH-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCNc2ccccc2OCCOc2ccccc2)cc(c1)C
Isomeric Smiles
c1(c(OCCOc2ccccc2)cccc1)NCCOc1cc(cc(c1)C)C
Calculated Properties
JChem
Acid pKa
19.202656
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.5642095
LogD (pH = 7.4)
5.60278
Log P
5.603295
Molar Refractivity
113.9018
Polarizability
43.60331
Polar Surface Area
39.72
Rotatable Bonds
10
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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