Molecule

ID:28737

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₃
Molecular Mass
391.50266
Exact Mass
391.21474379
Charge
0
InChI
InChI=1S/C25H29NO3/c1-3-20(2)29-24-15-13-22(14-16-24)26-19-21-9-7-8-12-25(21)28-18-17-27-23-10-5-4-6-11-23/h4-16,20,26H,3,17-19H2,1-2H3
InChIKey
LMUNVMQAMTWTHY-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)NCc1ccccc1OCCOc1ccccc1)C
Isomeric Smiles
c1(CNc2ccc(OC(CC)C)cc2)c(OCCOc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.7094464
LogD (pH = 7.4)
5.793918
Log P
5.7951097
Molar Refractivity
118.0344
Polarizability
45.5993
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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