Molecule

ID:44110

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)21-10-6-15-25(18-21)16-7-17-28-22-11-13-23(14-12-22)29-19-20-8-4-3-5-9-20/h3-5,8-9,11-14,21H,2,6-7,10,15-19H2,1H3
InChIKey
AULVKAQULIYBLC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)CCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C1(C(=O)OCC)CN(CCCOc2ccc(OCc3ccccc3)cc2)CCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1779447
LogD (pH = 7.4)
2.88766
Log P
4.192701
Molar Refractivity
114.2271
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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