Molecule

ID:44111

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₁NO₄
Molecular Mass
397.50724
Exact Mass
397.22530848
Charge
0
InChI
InChI=1S/C24H31NO4/c1-2-27-24(26)21-13-16-25(17-14-21)15-6-18-28-22-9-11-23(12-10-22)29-19-20-7-4-3-5-8-20/h3-5,7-12,21H,2,6,13-19H2,1H3
InChIKey
NIEBYRNNEXXTCO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)CCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=O)(C1CCN(CC1)CCCOc1ccc(OCc2ccccc2)cc1)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.321398
LogD (pH = 7.4)
3.0932956
Log P
4.036793
Molar Refractivity
114.3811
Polarizability
44.933346
Polar Surface Area
48.0
Rotatable Bonds
11
Lipinski's Rule of Five
true
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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