Molecule

ID:29501

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₃
Molecular Mass
377.47608
Exact Mass
377.19909373
Charge
0
InChI
InChI=1S/C24H27NO3/c1-19-11-12-20(2)24(17-19)28-14-13-25-21-7-6-10-23(18-21)27-16-15-26-22-8-4-3-5-9-22/h3-12,17-18,25H,13-16H2,1-2H3
InChIKey
GBNCXWIPGBGGQF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCCNc1cccc(c1)OCCOc1ccccc1)C
Isomeric Smiles
c1(c(ccc(c1)C)C)OCCNc1cc(OCCOc2ccccc2)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.596399
LogD (pH = 7.4)
5.603207
Log P
5.603295
Molar Refractivity
113.9018
Polarizability
43.602795
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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