Molecule

ID:29536

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₃
Molecular Mass
377.47608
Exact Mass
377.19909373
Charge
0
InChI
InChI=1S/C24H27NO3/c1-2-16-26-22-14-12-20(13-15-22)19-25-23-10-6-7-11-24(23)28-18-17-27-21-8-4-3-5-9-21/h3-15,25H,2,16-19H2,1H3
InChIKey
ZFPIMHUNSATINW-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)CNc1ccccc1OCCOc1ccccc1
Isomeric Smiles
N(c1c(OCCOc2ccccc2)cccc1)Cc1ccc(cc1)OCCC
Calculated Properties
JChem
Acid pKa
19.000061
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.355451
LogD (pH = 7.4)
5.3782363
Log P
5.3785343
Molar Refractivity
113.6156
Polarizability
43.75613
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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