Molecule

ID:29531

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₃
Molecular Mass
377.47608
Exact Mass
377.19909373
Charge
0
InChI
InChI=1S/C24H27NO3/c1-19-12-13-20(2)24(18-19)27-15-14-25-22-10-6-7-11-23(22)28-17-16-26-21-8-4-3-5-9-21/h3-13,18,25H,14-17H2,1-2H3
InChIKey
AABDLCDARUAIRZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCCNc1ccccc1OCCOc1ccccc1)C
Isomeric Smiles
c1(c(ccc(c1)C)C)OCCNc1c(OCCOc2ccccc2)cccc1
Calculated Properties
JChem
Acid pKa
19.202637
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.5642104
LogD (pH = 7.4)
5.60278
Log P
5.603295
Molar Refractivity
113.9018
Polarizability
43.60379
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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